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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:26:14 UTC

Update Date

2021-09-26 22:55:29 UTC

HMDB ID

HMDB0246415

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Epitetracycline

Description

Sanclomycine, also known as achromycin or 4 epitetracycline, belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Based on a literature review very few articles have been published on Sanclomycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Epitetracycline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Epitetracycline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1533004261515112D          

 32 35  0  0  0  0            999 V2000
    1.6131   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 11 24  1  0  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 32  1  0  0  0  0
M  END

HMDB0246415
     RDKit          3D
Epitetracycline
 56 59  0  0  0  0  0  0  0  0999 V2000
   -4.3861   -2.2256    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -1.8681    0.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -3.0390    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509   -0.6969    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344    0.3657    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7277    0.0745    1.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    1.7846    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    2.7984    0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323    4.1861    0.4615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4849    2.3943    1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    2.1861   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    3.5322   -0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.2055   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.9308   -1.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610    1.8019   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    3.0397   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446    0.9105   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    1.3848   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    2.7121   -0.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    0.5320   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    1.0346   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    2.3069   -1.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    0.1679   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -1.1220   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -1.5975    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194   -0.7647    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.3675    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -2.1176    1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -2.3566   -0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671   -0.4485    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -0.9139   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.1378    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7521   -1.5635   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -3.2520   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -2.2655    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -3.4979   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -3.0483    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -3.8368    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -0.7776   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906    4.6678   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407    4.7550    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522    3.9186   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    0.8251   -2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484    3.0583   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.0581   -1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0514    0.5600   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7654   -1.7476   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -2.6312    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501   -1.8607    2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2303   -1.8182    2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948   -3.2126    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -3.1352   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -0.3294    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0593   -0.6335   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9800   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.0543    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32  4  1  0
 32 13  1  0
 30 17  1  0
 26 20  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 28 49  1  0
 28 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 31 55  1  0
 32 56  1  0
M  END

  Mrv1533004261515112D          

 32 35  0  0  0  0            999 V2000
    1.6131   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 11 24  1  0  0  0  0
 10 25  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246415

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)

> <INCHI_KEY>
NWXMGUDVXFXRIG-UHFFFAOYSA-N

> <FORMULA>
C22H24N2O8

> <MOLECULAR_WEIGHT>
444.44

> <EXACT_MASS>
444.153265741

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
43.925614788251394

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide

> <ALOGPS_LOGP>
-0.73

> <JCHEM_LOGP>
-3.823037572541849

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.619650284705392

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5924308218731196

> <JCHEM_PKA_STRONGEST_BASIC>
6.5420115199014575

> <JCHEM_POLAR_SURFACE_AREA>
181.62000000000003

> <JCHEM_REFRACTIVITY>
114.01989999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0246415
     RDKit          3D
Epitetracycline
 56 59  0  0  0  0  0  0  0  0999 V2000
   -4.3861   -2.2256    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -1.8681    0.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -3.0390    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509   -0.6969    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344    0.3657    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7277    0.0745    1.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    1.7846    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    2.7984    0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323    4.1861    0.4615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4849    2.3943    1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    2.1861   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    3.5322   -0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.2055   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.9308   -1.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610    1.8019   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    3.0397   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446    0.9105   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    1.3848   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    2.7121   -0.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    0.5320   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    1.0346   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    2.3069   -1.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    0.1679   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -1.1220   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -1.5975    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194   -0.7647    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.3675    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -2.1176    1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -2.3566   -0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671   -0.4485    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -0.9139   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.1378    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7521   -1.5635   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -3.2520   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -2.2655    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -3.4979   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -3.0483    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -3.8368    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -0.7776   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906    4.6678   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407    4.7550    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522    3.9186   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    0.8251   -2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484    3.0583   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.0581   -1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0514    0.5600   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7654   -1.7476   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -2.6312    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501   -1.8607    2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2303   -1.8182    2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948   -3.2126    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -3.1352   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -0.3294    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0593   -0.6335   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9800   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.0543    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32  4  1  0
 32 13  1  0
 30 17  1  0
 26 20  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 28 49  1  0
 28 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 31 55  1  0
 32 56  1  0
M  END

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       3.011  -1.950   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.002   3.080   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      13.337   1.540   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0       9.336  -2.310   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.991  -1.950   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17   32                                             
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7   29                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   26                                                  
CONECT   10    9   11   25                                                  
CONECT   11   10    5   12   24                                             
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    3   15                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16    2   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16   22                                                  
CONECT   22   21                                                            
CONECT   23   15                                                            
CONECT   24   11                                                            
CONECT   25   10                                                            
CONECT   26    9   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29    6   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32    2                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0246415
HETATM    1  C1  UNL     1      -4.386  -2.226   0.202  1.00  0.00           C  
HETATM    2  N1  UNL     1      -3.046  -1.868   0.658  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.284  -3.039   0.705  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.651  -0.697   0.038  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.634   0.366   0.495  1.00  0.00           C  
HETATM    6  O1  UNL     1      -4.728   0.075   1.050  1.00  0.00           O  
HETATM    7  C5  UNL     1      -3.367   1.785   0.315  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.363   2.798   0.630  1.00  0.00           C  
HETATM    9  N2  UNL     1      -4.132   4.186   0.461  1.00  0.00           N  
HETATM   10  O2  UNL     1      -5.485   2.394   1.075  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.196   2.186  -0.148  1.00  0.00           C  
HETATM   12  O3  UNL     1      -1.902   3.532  -0.333  1.00  0.00           O  
HETATM   13  C8  UNL     1      -1.187   1.205  -0.473  1.00  0.00           C  
HETATM   14  O4  UNL     1      -1.124   0.931  -1.864  1.00  0.00           O  
HETATM   15  C9  UNL     1       0.161   1.802  -0.171  1.00  0.00           C  
HETATM   16  O5  UNL     1       0.295   3.040  -0.002  1.00  0.00           O  
HETATM   17  C10 UNL     1       1.345   0.910  -0.074  1.00  0.00           C  
HETATM   18  C11 UNL     1       2.531   1.385  -0.391  1.00  0.00           C  
HETATM   19  O6  UNL     1       2.637   2.712  -0.798  1.00  0.00           O  
HETATM   20  C12 UNL     1       3.700   0.532  -0.321  1.00  0.00           C  
HETATM   21  C13 UNL     1       4.960   1.035  -0.617  1.00  0.00           C  
HETATM   22  O7  UNL     1       5.197   2.307  -1.011  1.00  0.00           O  
HETATM   23  C14 UNL     1       6.055   0.168  -0.499  1.00  0.00           C  
HETATM   24  C15 UNL     1       5.880  -1.122  -0.106  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.621  -1.597   0.181  1.00  0.00           C  
HETATM   26  C17 UNL     1       3.519  -0.765   0.073  1.00  0.00           C  
HETATM   27  C18 UNL     1       2.222  -1.368   0.360  1.00  0.00           C  
HETATM   28  C19 UNL     1       2.301  -2.118   1.693  1.00  0.00           C  
HETATM   29  O8  UNL     1       1.908  -2.357  -0.605  1.00  0.00           O  
HETATM   30  C20 UNL     1       1.067  -0.449   0.421  1.00  0.00           C  
HETATM   31  C21 UNL     1      -0.162  -0.914  -0.349  1.00  0.00           C  
HETATM   32  C22 UNL     1      -1.315  -0.138   0.213  1.00  0.00           C  
HETATM   33  H1  UNL     1      -4.752  -1.564  -0.608  1.00  0.00           H  
HETATM   34  H2  UNL     1      -4.390  -3.252  -0.230  1.00  0.00           H  
HETATM   35  H3  UNL     1      -5.059  -2.266   1.083  1.00  0.00           H  
HETATM   36  H4  UNL     1      -2.022  -3.498  -0.285  1.00  0.00           H  
HETATM   37  H5  UNL     1      -1.422  -3.048   1.426  1.00  0.00           H  
HETATM   38  H6  UNL     1      -2.963  -3.837   1.151  1.00  0.00           H  
HETATM   39  H7  UNL     1      -2.857  -0.778  -1.071  1.00  0.00           H  
HETATM   40  H8  UNL     1      -4.591   4.668  -0.347  1.00  0.00           H  
HETATM   41  H9  UNL     1      -3.541   4.755   1.087  1.00  0.00           H  
HETATM   42  H10 UNL     1      -1.752   3.919  -1.267  1.00  0.00           H  
HETATM   43  H11 UNL     1      -2.013   0.825  -2.243  1.00  0.00           H  
HETATM   44  H12 UNL     1       2.048   3.058  -1.551  1.00  0.00           H  
HETATM   45  H13 UNL     1       4.641   3.058  -1.162  1.00  0.00           H  
HETATM   46  H14 UNL     1       7.051   0.560  -0.732  1.00  0.00           H  
HETATM   47  H15 UNL     1       6.765  -1.748  -0.033  1.00  0.00           H  
HETATM   48  H16 UNL     1       4.518  -2.631   0.490  1.00  0.00           H  
HETATM   49  H17 UNL     1       1.450  -1.861   2.356  1.00  0.00           H  
HETATM   50  H18 UNL     1       3.230  -1.818   2.242  1.00  0.00           H  
HETATM   51  H19 UNL     1       2.295  -3.213   1.562  1.00  0.00           H  
HETATM   52  H20 UNL     1       1.488  -3.135  -0.173  1.00  0.00           H  
HETATM   53  H21 UNL     1       0.695  -0.329   1.489  1.00  0.00           H  
HETATM   54  H22 UNL     1       0.059  -0.633  -1.423  1.00  0.00           H  
HETATM   55  H23 UNL     1      -0.184  -1.980  -0.309  1.00  0.00           H  
HETATM   56  H24 UNL     1      -1.132   0.054   1.304  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3    4
CONECT    3   36   37   38
CONECT    4    5   32   39
CONECT    5    6    6    7
CONECT    7    8   11   11
CONECT    8    9   10   10
CONECT    9   40   41
CONECT   11   12   13
CONECT   12   42
CONECT   13   14   15   32
CONECT   14   43
CONECT   15   16   16   17
CONECT   17   18   18   30
CONECT   18   19   20
CONECT   19   44
CONECT   20   21   21   26
CONECT   21   22   23
CONECT   22   45
CONECT   23   24   24   46
CONECT   24   25   47
CONECT   25   26   26   48
CONECT   26   27
CONECT   27   28   29   30
CONECT   28   49   50   51
CONECT   29   52
CONECT   30   31   53
CONECT   31   32   54   55
CONECT   32   56
END

HMDB0246415
     RDKit          3D
Epitetracycline
 56 59  0  0  0  0  0  0  0  0999 V2000
   -4.3861   -2.2256    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -1.8681    0.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -3.0390    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509   -0.6969    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344    0.3657    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7277    0.0745    1.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    1.7846    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    2.7984    0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323    4.1861    0.4615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4849    2.3943    1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    2.1861   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    3.5322   -0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.2055   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.9308   -1.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610    1.8019   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    3.0397   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446    0.9105   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    1.3848   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    2.7121   -0.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    0.5320   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    1.0346   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    2.3069   -1.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    0.1679   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -1.1220   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -1.5975    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194   -0.7647    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.3675    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -2.1176    1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -2.3566   -0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671   -0.4485    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -0.9139   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.1378    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7521   -1.5635   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -3.2520   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -2.2655    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -3.4979   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -3.0483    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -3.8368    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -0.7776   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906    4.6678   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407    4.7550    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522    3.9186   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    0.8251   -2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484    3.0583   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.0581   -1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0514    0.5600   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7654   -1.7476   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -2.6312    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501   -1.8607    2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2303   -1.8182    2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948   -3.2126    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -3.1352   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -0.3294    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0593   -0.6335   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9800   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.0543    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32  4  1  0
 32 13  1  0
 30 17  1  0
 26 20  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 28 49  1  0
 28 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 31 55  1  0
 32 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Achromycin	MeSH
Achromycin V	MeSH
Hostacyclin	MeSH
Topicycline	MeSH
4 Epitetracycline	MeSH
4-Epitetracycline	MeSH
Tetracycline hydrochloride	MeSH
Tetraolean	MeSH
Sustamycin	MeSH
Tetracycline	MeSH
Sigmamycin	MeSH
Tetrabid	MeSH
Tetracycline monohydrochloride	MeSH
4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidate	Generator

Chemical Formula

C₂₂H₂₄N₂O₈

Average Molecular Weight

444.44

Monoisotopic Molecular Weight

444.153265741

IUPAC Name

4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide

Traditional Name

4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

CAS Registry Number

Not Available

SMILES

CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O

InChI Identifier

InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)

InChI Key

NWXMGUDVXFXRIG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tetracyclines

Sub Class

Not Available

Direct Parent

Tetracyclines

Alternative Parents

Substituents

Tetracycline
1-naphthol
Naphthalene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclohexenone
Aralkylamine
Benzenoid
Cyclic alcohol
Tertiary alcohol
Vinylogous acid
Ketone
Cyclic ketone
Tertiary aliphatic amine
Tertiary amine
Carboximidic acid
Carboximidic acid derivative
Enol
Polyol
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Alcohol
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.73	ALOGPS
logP	-3.8	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	2.59	ChemAxon
pKa (Strongest Basic)	6.54	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	181.62 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	114.02 m³·mol⁻¹	ChemAxon
Polarizability	43.93 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	202.949	30932474
DeepCCS	[M-H]-	200.554	30932474
DeepCCS	[M-2H]-	233.438	30932474
DeepCCS	[M+Na]+	208.951	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epitetracycline	CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O	3281.9	Standard non polar	33892256
Epitetracycline	CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O	3281.7	Standard non polar	33892256
Epitetracycline	CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O	3702.1	Semi standard non polar	33892256
Epitetracycline	CN(C)C1C2CC3C(=C(O)C4=C(C=CC=C4O)C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O	3701.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epitetracycline,1TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3609.2	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3336.7	Standard non polar	33892256
Epitetracycline,1TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	5028.4	Standard polar	33892256
Epitetracycline,1TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3647.5	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3330.3	Standard non polar	33892256
Epitetracycline,1TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	5021.5	Standard polar	33892256
Epitetracycline,1TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3654.5	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3330.7	Standard non polar	33892256
Epitetracycline,1TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	5136.8	Standard polar	33892256
Epitetracycline,1TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3659.9	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3368.9	Standard non polar	33892256
Epitetracycline,1TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	5062.3	Standard polar	33892256
Epitetracycline,1TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3620.0	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3342.0	Standard non polar	33892256
Epitetracycline,1TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	5085.6	Standard polar	33892256
Epitetracycline,1TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3669.8	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3317.5	Standard non polar	33892256
Epitetracycline,1TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	5233.3	Standard polar	33892256
Epitetracycline,1TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3670.3	Semi standard non polar	33892256
Epitetracycline,1TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3583.9	Standard non polar	33892256
Epitetracycline,1TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4997.2	Standard polar	33892256
Epitetracycline,2TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3512.0	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3428.6	Standard non polar	33892256
Epitetracycline,2TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4787.3	Standard polar	33892256
Epitetracycline,2TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3601.4	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3381.7	Standard non polar	33892256
Epitetracycline,2TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4929.7	Standard polar	33892256
Epitetracycline,2TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3607.1	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3626.7	Standard non polar	33892256
Epitetracycline,2TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4669.2	Standard polar	33892256
Epitetracycline,2TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3533.7	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3423.5	Standard non polar	33892256
Epitetracycline,2TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4854.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #13	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3575.7	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #13	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3452.2	Standard non polar	33892256
Epitetracycline,2TMS,isomer #13	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4828.0	Standard polar	33892256
Epitetracycline,2TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3587.9	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3378.1	Standard non polar	33892256
Epitetracycline,2TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4995.7	Standard polar	33892256
Epitetracycline,2TMS,isomer #15	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3566.2	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #15	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3612.1	Standard non polar	33892256
Epitetracycline,2TMS,isomer #15	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4710.5	Standard polar	33892256
Epitetracycline,2TMS,isomer #16	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3565.4	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #16	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3461.6	Standard non polar	33892256
Epitetracycline,2TMS,isomer #16	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4828.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3599.9	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3422.4	Standard non polar	33892256
Epitetracycline,2TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4964.6	Standard polar	33892256
Epitetracycline,2TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3579.7	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3663.7	Standard non polar	33892256
Epitetracycline,2TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4672.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3562.8	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3393.3	Standard non polar	33892256
Epitetracycline,2TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4947.4	Standard polar	33892256
Epitetracycline,2TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3558.9	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3459.1	Standard non polar	33892256
Epitetracycline,2TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4767.7	Standard polar	33892256
Epitetracycline,2TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3551.4	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3621.1	Standard non polar	33892256
Epitetracycline,2TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4724.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3595.2	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3536.2	Standard non polar	33892256
Epitetracycline,2TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4884.6	Standard polar	33892256
Epitetracycline,2TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3622.8	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3620.0	Standard non polar	33892256
Epitetracycline,2TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4803.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3576.6	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3411.5	Standard non polar	33892256
Epitetracycline,2TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4764.2	Standard polar	33892256
Epitetracycline,2TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3558.6	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3412.3	Standard non polar	33892256
Epitetracycline,2TMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4814.2	Standard polar	33892256
Epitetracycline,2TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3556.7	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3384.9	Standard non polar	33892256
Epitetracycline,2TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4923.9	Standard polar	33892256
Epitetracycline,2TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3531.1	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3625.1	Standard non polar	33892256
Epitetracycline,2TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4651.6	Standard polar	33892256
Epitetracycline,2TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3547.0	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3417.9	Standard non polar	33892256
Epitetracycline,2TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4798.4	Standard polar	33892256
Epitetracycline,2TMS,isomer #8	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3588.4	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #8	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3450.8	Standard non polar	33892256
Epitetracycline,2TMS,isomer #8	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4777.7	Standard polar	33892256
Epitetracycline,2TMS,isomer #9	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3592.8	Semi standard non polar	33892256
Epitetracycline,2TMS,isomer #9	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3417.3	Standard non polar	33892256
Epitetracycline,2TMS,isomer #9	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4821.8	Standard polar	33892256
Epitetracycline,3TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3489.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3542.4	Standard non polar	33892256
Epitetracycline,3TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4558.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3552.5	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3478.4	Standard non polar	33892256
Epitetracycline,3TMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4571.5	Standard polar	33892256
Epitetracycline,3TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3534.7	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3438.5	Standard non polar	33892256
Epitetracycline,3TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4690.9	Standard polar	33892256
Epitetracycline,3TMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3511.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3647.1	Standard non polar	33892256
Epitetracycline,3TMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4405.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3514.7	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3434.4	Standard non polar	33892256
Epitetracycline,3TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4721.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3470.7	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3644.8	Standard non polar	33892256
Epitetracycline,3TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4417.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3450.3	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3568.1	Standard non polar	33892256
Epitetracycline,3TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4585.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3513.7	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3646.6	Standard non polar	33892256
Epitetracycline,3TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4515.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3524.6	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3526.7	Standard non polar	33892256
Epitetracycline,3TMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4582.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3514.0	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3495.4	Standard non polar	33892256
Epitetracycline,3TMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4602.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3514.8	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3443.8	Standard non polar	33892256
Epitetracycline,3TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4706.7	Standard polar	33892256
Epitetracycline,3TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3492.8	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3495.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4553.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3505.0	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3652.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4451.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3552.2	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3522.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4579.3	Standard polar	33892256
Epitetracycline,3TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3550.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3479.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4729.5	Standard polar	33892256
Epitetracycline,3TMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3535.7	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3695.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4411.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3561.2	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3430.1	Standard non polar	33892256
Epitetracycline,3TMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4741.7	Standard polar	33892256
Epitetracycline,3TMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3536.3	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3653.8	Standard non polar	33892256
Epitetracycline,3TMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4446.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3525.8	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3563.8	Standard non polar	33892256
Epitetracycline,3TMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4611.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3572.3	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3623.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4540.9	Standard polar	33892256
Epitetracycline,3TMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3521.5	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3532.1	Standard non polar	33892256
Epitetracycline,3TMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4606.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3507.2	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3441.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4739.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3481.0	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3496.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4579.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3472.2	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3646.3	Standard non polar	33892256
Epitetracycline,3TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4466.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3545.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3475.2	Standard non polar	33892256
Epitetracycline,3TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4759.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3499.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3685.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4419.8	Standard polar	33892256
Epitetracycline,3TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3506.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3547.5	Standard non polar	33892256
Epitetracycline,3TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4630.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3539.4	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3610.6	Standard non polar	33892256
Epitetracycline,3TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4558.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3524.2	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3494.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4768.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3491.9	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3696.3	Standard non polar	33892256
Epitetracycline,3TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4420.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3520.8	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3606.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4621.5	Standard polar	33892256
Epitetracycline,3TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3550.0	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3666.2	Standard non polar	33892256
Epitetracycline,3TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4520.7	Standard polar	33892256
Epitetracycline,3TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3477.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3570.7	Standard non polar	33892256
Epitetracycline,3TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4616.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3486.0	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3458.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4682.7	Standard polar	33892256
Epitetracycline,3TMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3522.3	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3619.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4557.1	Standard polar	33892256
Epitetracycline,3TMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3592.3	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3556.7	Standard non polar	33892256
Epitetracycline,3TMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4720.0	Standard polar	33892256
Epitetracycline,3TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3440.8	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3659.2	Standard non polar	33892256
Epitetracycline,3TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4420.6	Standard polar	33892256
Epitetracycline,3TMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3537.4	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3521.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4534.4	Standard polar	33892256
Epitetracycline,3TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3525.4	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3525.0	Standard non polar	33892256
Epitetracycline,3TMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4556.2	Standard polar	33892256
Epitetracycline,3TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3516.9	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3491.9	Standard non polar	33892256
Epitetracycline,3TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4707.6	Standard polar	33892256
Epitetracycline,3TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3473.1	Semi standard non polar	33892256
Epitetracycline,3TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3699.7	Standard non polar	33892256
Epitetracycline,3TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4378.4	Standard polar	33892256
Epitetracycline,4TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3508.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3592.5	Standard non polar	33892256
Epitetracycline,4TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4376.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3396.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3619.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4354.5	Standard polar	33892256
Epitetracycline,4TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3467.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3654.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4311.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3535.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3568.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #12	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4381.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3524.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3523.2	Standard non polar	33892256
Epitetracycline,4TMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4521.1	Standard polar	33892256
Epitetracycline,4TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3496.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3715.0	Standard non polar	33892256
Epitetracycline,4TMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4185.9	Standard polar	33892256
Epitetracycline,4TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3502.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3513.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4529.3	Standard polar	33892256
Epitetracycline,4TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3449.0	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3714.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #16	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4176.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3432.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3649.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4366.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3487.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3697.1	Standard non polar	33892256
Epitetracycline,4TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4280.4	Standard polar	33892256
Epitetracycline,4TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3535.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3452.2	Standard non polar	33892256
Epitetracycline,4TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4529.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3486.2	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3592.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4380.4	Standard polar	33892256
Epitetracycline,4TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3495.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3665.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4221.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3459.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3593.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4378.0	Standard polar	33892256
Epitetracycline,4TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3519.7	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3635.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4318.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #23	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3428.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #23	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3581.0	Standard non polar	33892256
Epitetracycline,4TMS,isomer #23	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4378.1	Standard polar	33892256
Epitetracycline,4TMS,isomer #24	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3487.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #24	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3631.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #24	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4316.5	Standard polar	33892256
Epitetracycline,4TMS,isomer #25	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3492.0	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #25	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3580.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #25	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4475.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #26	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3527.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #26	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3584.0	Standard non polar	33892256
Epitetracycline,4TMS,isomer #26	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4408.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #27	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3507.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #27	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3532.3	Standard non polar	33892256
Epitetracycline,4TMS,isomer #27	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4563.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #28	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3487.4	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #28	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3716.1	Standard non polar	33892256
Epitetracycline,4TMS,isomer #28	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4205.0	Standard polar	33892256
Epitetracycline,4TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3516.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3470.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4536.4	Standard polar	33892256
Epitetracycline,4TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3473.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3551.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4536.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3479.2	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3678.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4250.3	Standard polar	33892256
Epitetracycline,4TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3459.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3599.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4392.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3495.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3617.1	Standard non polar	33892256
Epitetracycline,4TMS,isomer #32	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4346.0	Standard polar	33892256
Epitetracycline,4TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3544.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3503.3	Standard non polar	33892256
Epitetracycline,4TMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4556.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3502.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3711.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #34	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4213.9	Standard polar	33892256
Epitetracycline,4TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3492.4	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3636.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4403.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3527.4	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3658.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #36	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4315.4	Standard polar	33892256
Epitetracycline,4TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3499.7	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3573.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4413.9	Standard polar	33892256
Epitetracycline,4TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3531.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3604.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4348.5	Standard polar	33892256
Epitetracycline,4TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3546.4	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3543.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4505.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3430.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3734.3	Standard non polar	33892256
Epitetracycline,4TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4166.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #40	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3506.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #40	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3531.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #40	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4571.3	Standard polar	33892256
Epitetracycline,4TMS,isomer #41	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3457.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #41	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3716.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #41	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4195.8	Standard polar	33892256
Epitetracycline,4TMS,isomer #42	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3440.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #42	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3591.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #42	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4393.3	Standard polar	33892256
Epitetracycline,4TMS,isomer #43	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3475.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #43	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3612.2	Standard non polar	33892256
Epitetracycline,4TMS,isomer #43	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4344.2	Standard polar	33892256
Epitetracycline,4TMS,isomer #44	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3478.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #44	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3626.0	Standard non polar	33892256
Epitetracycline,4TMS,isomer #44	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4398.1	Standard polar	33892256
Epitetracycline,4TMS,isomer #45	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3503.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #45	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3653.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #45	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4307.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #46	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3548.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #46	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3540.0	Standard non polar	33892256
Epitetracycline,4TMS,isomer #46	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4510.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #47	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3443.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #47	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3652.3	Standard non polar	33892256
Epitetracycline,4TMS,isomer #47	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4398.0	Standard polar	33892256
Epitetracycline,4TMS,isomer #48	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3483.7	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #48	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3676.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #48	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4298.3	Standard polar	33892256
Epitetracycline,4TMS,isomer #49	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3539.1	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #49	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3608.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #49	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4500.5	Standard polar	33892256
Epitetracycline,4TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3503.7	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3540.8	Standard non polar	33892256
Epitetracycline,4TMS,isomer #5	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4397.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #50	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3513.9	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #50	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3580.3	Standard non polar	33892256
Epitetracycline,4TMS,isomer #50	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4486.6	Standard polar	33892256
Epitetracycline,4TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3493.4	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3491.9	Standard non polar	33892256
Epitetracycline,4TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4495.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3469.8	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3686.7	Standard non polar	33892256
Epitetracycline,4TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4217.9	Standard polar	33892256
Epitetracycline,4TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3477.5	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3482.2	Standard non polar	33892256
Epitetracycline,4TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4507.7	Standard polar	33892256
Epitetracycline,4TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3430.3	Semi standard non polar	33892256
Epitetracycline,4TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3683.4	Standard non polar	33892256
Epitetracycline,4TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4214.7	Standard polar	33892256
Epitetracycline,5TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3528.6	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3614.3	Standard non polar	33892256
Epitetracycline,5TMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4223.4	Standard polar	33892256
Epitetracycline,5TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3454.7	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3625.1	Standard non polar	33892256
Epitetracycline,5TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4171.6	Standard polar	33892256
Epitetracycline,5TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3502.5	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3640.6	Standard non polar	33892256
Epitetracycline,5TMS,isomer #11	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4105.1	Standard polar	33892256
Epitetracycline,5TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3423.8	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3615.9	Standard non polar	33892256
Epitetracycline,5TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4164.1	Standard polar	33892256
Epitetracycline,5TMS,isomer #2	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3498.6	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #2	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3554.9	Standard non polar	33892256
Epitetracycline,5TMS,isomer #2	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4390.1	Standard polar	33892256
Epitetracycline,5TMS,isomer #28	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3478.7	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #28	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3663.1	Standard non polar	33892256
Epitetracycline,5TMS,isomer #28	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4206.6	Standard polar	33892256
Epitetracycline,5TMS,isomer #3	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3491.2	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #3	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3752.6	Standard non polar	33892256
Epitetracycline,5TMS,isomer #3	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3956.4	Standard polar	33892256
Epitetracycline,5TMS,isomer #30	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3484.8	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #30	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3598.1	Standard non polar	33892256
Epitetracycline,5TMS,isomer #30	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4200.3	Standard polar	33892256
Epitetracycline,5TMS,isomer #31	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3497.7	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #31	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3595.7	Standard non polar	33892256
Epitetracycline,5TMS,isomer #31	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4129.1	Standard polar	33892256
Epitetracycline,5TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3480.6	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3661.1	Standard non polar	33892256
Epitetracycline,5TMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4066.8	Standard polar	33892256
Epitetracycline,5TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3481.9	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3548.2	Standard non polar	33892256
Epitetracycline,5TMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4385.5	Standard polar	33892256
Epitetracycline,5TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3452.1	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3744.8	Standard non polar	33892256
Epitetracycline,5TMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3942.6	Standard polar	33892256
Epitetracycline,5TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3415.7	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3690.4	Standard non polar	33892256
Epitetracycline,5TMS,isomer #6	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4169.9	Standard polar	33892256
Epitetracycline,5TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3466.9	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3713.2	Standard non polar	33892256
Epitetracycline,5TMS,isomer #7	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4051.3	Standard polar	33892256
Epitetracycline,5TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3511.1	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3477.0	Standard non polar	33892256
Epitetracycline,5TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4362.8	Standard polar	33892256
Epitetracycline,5TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3494.6	Semi standard non polar	33892256
Epitetracycline,5TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3695.1	Standard non polar	33892256
Epitetracycline,5TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4009.2	Standard polar	33892256
Epitetracycline,6TMS,isomer #1	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3539.8	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #1	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3526.3	Standard non polar	33892256
Epitetracycline,6TMS,isomer #1	CN(C)C1=C(O[Si](C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4251.4	Standard polar	33892256
Epitetracycline,6TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3539.5	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3570.1	Standard non polar	33892256
Epitetracycline,6TMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4074.4	Standard polar	33892256
Epitetracycline,6TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3519.9	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3573.6	Standard non polar	33892256
Epitetracycline,6TMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4065.4	Standard polar	33892256
Epitetracycline,6TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3533.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3629.1	Standard non polar	33892256
Epitetracycline,6TMS,isomer #12	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3996.1	Standard polar	33892256
Epitetracycline,6TMS,isomer #13	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3551.4	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #13	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3623.5	Standard non polar	33892256
Epitetracycline,6TMS,isomer #13	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3868.8	Standard polar	33892256
Epitetracycline,6TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3555.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3591.7	Standard non polar	33892256
Epitetracycline,6TMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4096.3	Standard polar	33892256
Epitetracycline,6TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3528.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3598.7	Standard non polar	33892256
Epitetracycline,6TMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4077.8	Standard polar	33892256
Epitetracycline,6TMS,isomer #16	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3574.2	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #16	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3503.9	Standard non polar	33892256
Epitetracycline,6TMS,isomer #16	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4102.9	Standard polar	33892256
Epitetracycline,6TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3528.8	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3650.3	Standard non polar	33892256
Epitetracycline,6TMS,isomer #17	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4000.8	Standard polar	33892256
Epitetracycline,6TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3531.8	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3617.7	Standard non polar	33892256
Epitetracycline,6TMS,isomer #18	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3863.2	Standard polar	33892256
Epitetracycline,6TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3542.6	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3594.3	Standard non polar	33892256
Epitetracycline,6TMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	4099.5	Standard polar	33892256
Epitetracycline,6TMS,isomer #2	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3534.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #2	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3748.5	Standard non polar	33892256
Epitetracycline,6TMS,isomer #2	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3781.5	Standard polar	33892256
Epitetracycline,6TMS,isomer #20	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3565.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #20	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3518.3	Standard non polar	33892256
Epitetracycline,6TMS,isomer #20	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4093.5	Standard polar	33892256
Epitetracycline,6TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3585.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3541.5	Standard non polar	33892256
Epitetracycline,6TMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4107.5	Standard polar	33892256
Epitetracycline,6TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3531.6	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3606.5	Standard non polar	33892256
Epitetracycline,6TMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	4080.7	Standard polar	33892256
Epitetracycline,6TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3503.0	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3675.7	Standard non polar	33892256
Epitetracycline,6TMS,isomer #3	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3985.4	Standard polar	33892256
Epitetracycline,6TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3520.4	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3668.2	Standard non polar	33892256
Epitetracycline,6TMS,isomer #4	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O)C3CC12	3850.8	Standard polar	33892256
Epitetracycline,6TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3467.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3669.8	Standard non polar	33892256
Epitetracycline,6TMS,isomer #5	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3970.1	Standard polar	33892256
Epitetracycline,6TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3494.7	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3671.1	Standard non polar	33892256
Epitetracycline,6TMS,isomer #6	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3838.8	Standard polar	33892256
Epitetracycline,6TMS,isomer #7	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3492.8	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #7	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3657.0	Standard non polar	33892256
Epitetracycline,6TMS,isomer #7	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4070.5	Standard polar	33892256
Epitetracycline,6TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3518.3	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3596.7	Standard non polar	33892256
Epitetracycline,6TMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C)C(C(=O)N[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3985.1	Standard polar	33892256
Epitetracycline,6TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3542.5	Semi standard non polar	33892256
Epitetracycline,6TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3593.9	Standard non polar	33892256
Epitetracycline,6TMS,isomer #9	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C)C3CC12	3903.2	Standard polar	33892256
Epitetracycline,1TBDMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3877.4	Semi standard non polar	33892256
Epitetracycline,1TBDMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3590.3	Standard non polar	33892256
Epitetracycline,1TBDMS,isomer #4	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	5074.4	Standard polar	33892256
Epitetracycline,1TBDMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3924.6	Semi standard non polar	33892256
Epitetracycline,1TBDMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3784.3	Standard non polar	33892256
Epitetracycline,1TBDMS,isomer #7	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4987.0	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4012.7	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	3825.6	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4853.9	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4037.9	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	3796.4	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #10	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	5021.1	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4054.1	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4033.8	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #11	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4762.4	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4050.5	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	3793.4	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #14	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	5039.0	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4026.6	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	3950.2	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #21	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4925.5	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4034.3	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4038.7	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #22	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4829.8	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4029.6	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	3820.6	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4855.6	Standard polar	33892256
Epitetracycline,2TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4040.7	Semi standard non polar	33892256
Epitetracycline,2TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	3837.2	Standard non polar	33892256
Epitetracycline,2TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4875.6	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4143.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4101.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #1	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4685.6	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4208.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4043.0	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #10	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4723.2	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4182.2	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	3992.7	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #11	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4839.6	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4135.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4217.2	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #12	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4591.3	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4187.4	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	3996.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #13	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4839.6	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4097.4	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4206.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #14	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4582.0	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4038.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4138.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #15	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4728.1	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4110.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4265.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #16	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4646.3	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4173.8	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4100.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #17	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4711.1	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4187.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4068.1	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #18	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4727.5	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4176.0	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4014.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #19	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4836.0	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4171.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4058.2	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #2	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4702.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4116.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4223.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #20	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4606.5	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4186.3	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4100.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #21	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4714.8	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4192.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4052.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #22	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4858.6	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4154.4	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4269.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #23	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4580.4	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4234.8	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4001.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #24	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4865.0	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4161.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4234.0	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #25	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4612.5	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4111.2	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4143.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #26	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4759.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4168.8	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4267.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #27	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4674.3	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4163.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4104.0	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #28	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4705.5	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4200.2	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4019.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #29	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4835.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4158.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4053.6	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #3	CN(C)C1C(=O)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4701.8	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4088.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4213.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #30	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4596.8	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4209.1	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4055.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #31	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4855.1	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4114.8	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4259.5	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #32	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4564.3	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4098.4	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4139.1	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #33	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4752.1	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4134.5	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4260.6	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #34	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4664.8	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4188.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4074.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #35	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4859.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4101.1	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4259.6	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #36	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4560.1	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4113.1	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4195.0	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #37	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4740.0	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4144.5	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4299.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #38	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4633.3	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4083.6	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4152.4	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #39	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4731.2	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4150.3	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4021.9	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #4	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4809.7	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4112.0	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4255.0	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #40	CN(C)C1C(=O)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4660.7	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4156.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4214.1	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #41	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(O)C2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)(O)C3CC12	4818.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4054.5	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4212.2	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #5	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4574.5	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4176.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4087.5	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #6	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(C)(O)C3CC12	4693.9	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4165.3	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4084.2	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #7	CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O[Si](C)(C)C(C)(C)C)C3CC12	4690.0	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4156.9	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4056.6	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #8	CN(C)C1=C(O[Si](C)(C)C(C)(C)C)C(C(N)=O)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4832.7	Standard polar	33892256
Epitetracycline,3TBDMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4085.7	Semi standard non polar	33892256
Epitetracycline,3TBDMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4257.3	Standard non polar	33892256
Epitetracycline,3TBDMS,isomer #9	CN(C)C1C(=O)C(C(=O)N[Si](C)(C)C(C)(C)C)=C(O)C2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4C(C)(O)C3CC12	4548.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a6r-7498800000-54298704813757e6e07e	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_15) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_16) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_17) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_18) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_19) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_20) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_21) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_22) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_23) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_24) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_25) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_26) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_27) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_29) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_32) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_33) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_34) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_35) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_36) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitetracycline GC-MS (TMS_5_37) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 10V, Positive-QTOF	splash10-004i-0000900000-fc1af33a66530e3b00b6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 20V, Positive-QTOF	splash10-03fr-0000900000-eb3f89b799e2fe3ad34d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 40V, Positive-QTOF	splash10-00di-9212000000-cb6d4322d8afd78e38e6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 10V, Negative-QTOF	splash10-002f-0001900000-b7314c21145971028d25	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 20V, Negative-QTOF	splash10-052f-3029500000-cd8e98c4616fc93ba207	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitetracycline 40V, Negative-QTOF	splash10-001i-2039100000-d9d605520115edd79c58	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

29786121

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54685734

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Epitetracycline (HMDB0246415)

MOL for HMDB0246415 (Epitetracycline)

3D MOL for HMDB0246415 (Epitetracycline)

3D SDF for HMDB0246415 (Epitetracycline)

3D-SDF for HMDB0246415 (Epitetracycline)

PDB for HMDB0246415 (Epitetracycline)

3D PDB for HMDB0246415 (Epitetracycline)

SMILES for HMDB0246415 (Epitetracycline)

INCHI for HMDB0246415 (Epitetracycline)

Structure for HMDB0246415 (Epitetracycline)

3D Structure for HMDB0246415 (Epitetracycline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra