Hmdb loader

Showing metabocard for Oxytetracycline (HMDB0014733)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencestransporters (3) Show 3 proteinsXML
transporters (3) Show 3 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:43 UTC
HMDB IDHMDB0014733
Secondary Accession Numbers
  • HMDB0030518
  • HMDB14733
  • HMDB30518
Metabolite Identification
Common NameOxytetracycline
DescriptionOxytetracycline is a tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions. [PubChem]Oxytetracycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Oxytetracycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Oxytetracycline is a clinically used broad-spectrum antibacterial antibiotic. It is approved by FDA for use in fish and animal feeds. Oxytetracycline is known as a broad-spectrum antibiotic due to its activity against such a wide range of infections. It was the second of the tetracyclines to be discovered. Oxytetracycline, like other tetracyclines, is used to treat many infections common and rare. Its better absorption profile makes it preferable to tetracycline for moderately severe acne, but alternatives sould be sought if no improvement occurs by 3 months
Structure
Data?1582753214
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014733 (Oxytetracycline)

 
  Mrv0541 04141317292D          
 
 35 38  0  0  0  0            999 V2000
   16.7946   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0802   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0802   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7946  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5091   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5091   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   -9.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3657  -10.3125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9368   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223   -9.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2223   -9.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9368  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5078   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7946   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9368   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3644   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078  -11.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9368  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792  -11.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1522  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
 10  3  1  0  0  0  0
  2  3  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 14  9  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 18 13  1  0  0  0  0
 13 12  1  0  0  0  0
 15 12  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 16 17  2  0  0  0  0
  1 19  1  0  0  0  0
  7 20  1  0  0  0  0
 11 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  6  0  0  0
 12 31  1  6  0  0  0
 14 32  1  6  0  0  0
  9 33  1  6  0  0  0
 10 34  1  1  0  0  0
 10 35  1  6  0  0  0
M  END
Download

3D MOL for HMDB0014733 (Oxytetracycline)

HMDB0014733
     RDKit          3D
Oxytetracycline
 57 60  0  0  0  0  0  0  0  0999 V2000
   -3.0887   -2.4706   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656   -1.9207    0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347   -2.3657    1.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811   -0.4969    0.5132 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6802    0.2726    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731   -0.2675    0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    1.5711   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7643    2.3738   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6594    3.7515   -0.5382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741    1.8221   -0.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    2.1604    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809    3.2947    0.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    1.3313   -0.5612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1845    1.5913   -1.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829    1.8944   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710    3.0862    0.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.0653   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    1.5629    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    2.9249    0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    0.7151    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    1.3012    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663    2.6626    0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    0.5337    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476   -0.8251    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241   -1.3924    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778   -0.6230   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821   -1.2872   -0.2607 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5028   -2.1405   -1.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942   -2.1661    0.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -0.3749   -0.4471 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0941   -0.7108    0.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2562   -2.0875    0.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086   -0.1176   -0.3589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3224   -3.0779   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -3.1480   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.6501   -1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297   -3.2918    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7977   -2.6608    2.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -1.6380    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582   -0.2313    1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4629   -0.4492   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    4.0842   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3473    4.4647   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2604    1.5573   -2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.3675    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9486    3.0903    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    0.9745    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8748   -1.4035    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6934   -2.4547   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -3.0461   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.4718   -2.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617   -2.4654   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2541   -1.6633    1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915   -0.3833   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -0.1912    1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -2.3345    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.6464   -1.3398 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  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  6
 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  1
 27 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33  4  1  0
 33 13  1  0
 30 17  1  0
 26 20  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  1
  6 41  1  0
  9 42  1  0
  9 43  1  0
 14 44  1  0
 19 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 28 50  1  0
 28 51  1  0
 28 52  1  0
 29 53  1  0
 30 54  1  6
 31 55  1  1
 32 56  1  0
 33 57  1  6
M  END
Download

3D SDF for HMDB0014733 (Oxytetracycline)

 
  Mrv0541 04141317292D          
 
 35 38  0  0  0  0            999 V2000
   16.7946   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0802   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0802   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7946  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5091   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5091   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   -9.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3657  -10.3125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9368   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223   -9.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2223   -9.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9368  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5078   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7946   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9368   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3644   -9.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0789  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078  -11.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2223   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9368  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512  -10.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792  -11.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1522  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
 10  3  1  0  0  0  0
  2  3  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 14  9  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 18 13  1  0  0  0  0
 13 12  1  0  0  0  0
 15 12  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 16 17  2  0  0  0  0
  1 19  1  0  0  0  0
  7 20  1  0  0  0  0
 11 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  6  0  0  0
 12 31  1  6  0  0  0
 14 32  1  6  0  0  0
  9 33  1  6  0  0  0
 10 34  1  1  0  0  0
 10 35  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0014733

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1

> <INCHI_KEY>
JLGOGFIHBRJQHY-PXOLEDIWSA-N

> <FORMULA>
C22H24N2O9

> <MOLECULAR_WEIGHT>
460.434

> <EXACT_MASS>
460.148180376

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
44.038398982501974

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-4.7647019216514055

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.682103407067364

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.2717005838656359

> <JCHEM_PKA_STRONGEST_BASIC>
7.964750885970709

> <JCHEM_POLAR_SURFACE_AREA>
201.84999999999997

> <JCHEM_REFRACTIVITY>
115.30489999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.70e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014733 (Oxytetracycline)

HMDB0014733
     RDKit          3D
Oxytetracycline
 57 60  0  0  0  0  0  0  0  0999 V2000
   -3.0887   -2.4706   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656   -1.9207    0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347   -2.3657    1.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811   -0.4969    0.5132 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6802    0.2726    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731   -0.2675    0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    1.5711   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7643    2.3738   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6594    3.7515   -0.5382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741    1.8221   -0.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    2.1604    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809    3.2947    0.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192    1.3313   -0.5612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1845    1.5913   -1.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829    1.8944   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710    3.0862    0.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.0653   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    1.5629    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    2.9249    0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    0.7151    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    1.3012    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663    2.6626    0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    0.5337    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476   -0.8251    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241   -1.3924    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778   -0.6230   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821   -1.2872   -0.2607 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5028   -2.1405   -1.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942   -2.1661    0.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -0.3749   -0.4471 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0941   -0.7108    0.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2562   -2.0875    0.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086   -0.1176   -0.3589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3224   -3.0779   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -3.1480   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.6501   -1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297   -3.2918    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7977   -2.6608    2.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -1.6380    2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582   -0.2313    1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4629   -0.4492   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    4.0842   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3473    4.4647   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2604    1.5573   -2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.3675    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9486    3.0903    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    0.9745    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8748   -1.4035    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6934   -2.4547   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -3.0461   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.4718   -2.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617   -2.4654   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2541   -1.6633    1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915   -0.3833   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -0.1912    1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -2.3345    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.6464   -1.3398 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  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  6
 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  1
 27 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33  4  1  0
 33 13  1  0
 30 17  1  0
 26 20  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  1
  6 41  1  0
  9 42  1  0
  9 43  1  0
 14 44  1  0
 19 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 28 50  1  0
 28 51  1  0
 28 52  1  0
 29 53  1  0
 30 54  1  6
 31 55  1  1
 32 56  1  0
 33 57  1  6
M  END
Download

PDB for HMDB0014733 (Oxytetracycline)

HEADER    PROTEIN                                 14-APR-13   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-APR-13         0                                  
HETATM    1  C   UNK     0      31.350 -16.170   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.016 -16.940   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      30.016 -18.480   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      31.350 -19.250   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      32.684 -18.480   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      32.684 -16.940   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.683 -16.170   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.349 -16.940   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      27.349 -18.480   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.683 -19.250   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.015 -16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.682 -16.940   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.682 -18.480   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      26.015 -19.250   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      23.348 -16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.014 -16.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.014 -18.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      23.348 -19.250   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      31.350 -14.630   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      28.683 -14.630   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      26.015 -14.630   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      23.348 -14.630   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.681 -16.170   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      20.681 -14.630   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      19.347 -16.940   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      20.681 -19.250   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      23.348 -20.790   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      22.014 -21.560   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      24.682 -21.560   0.000  0.00  0.00           C+0
HETATM   30  H   UNK     0      24.682 -20.020   0.000  0.00  0.00           H+0
HETATM   31  O   UNK     0      24.682 -15.400   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      26.015 -20.790   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      27.349 -20.020   0.000  0.00  0.00           H+0
HETATM   34  O   UNK     0      29.081 -20.738   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      28.284 -20.738   0.000  0.00  0.00           C+0
CONECT    1    2    6   19                                                  
CONECT    2    1    3    7                                                  
CONECT    3    4   10    2                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    2    8   20                                                  
CONECT    8    7    9   11                                                  
CONECT    9   10   14    8   33                                             
CONECT   10    3    9   34   35                                             
CONECT   11    8   12   21                                                  
CONECT   12   11   13   15   31                                             
CONECT   13   14   18   12   30                                             
CONECT   14    9   13   32                                                  
CONECT   15   12   16   22                                                  
CONECT   16   15   17   23                                                  
CONECT   17   18   16   26                                                  
CONECT   18   13   17   27                                                  
CONECT   19    1                                                            
CONECT   20    7                                                            
CONECT   21   11                                                            
CONECT   22   15                                                            
CONECT   23   16   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   17                                                            
CONECT   27   18   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   13                                                            
CONECT   31   12                                                            
CONECT   32   14                                                            
CONECT   33    9                                                            
CONECT   34   10                                                            
CONECT   35   10                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END
Download

3D PDB for HMDB0014733 (Oxytetracycline)

COMPND    HMDB0014733
HETATM    1  C1  UNL     1      -3.089  -2.471  -0.730  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.666  -1.921   0.526  1.00  0.00           N  
HETATM    3  C2  UNL     1      -3.435  -2.366   1.637  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.481  -0.497   0.513  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.680   0.273   0.233  1.00  0.00           C  
HETATM    6  O1  UNL     1      -4.973  -0.267   0.193  1.00  0.00           O  
HETATM    7  C5  UNL     1      -3.568   1.571  -0.003  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.764   2.374  -0.287  1.00  0.00           C  
HETATM    9  N2  UNL     1      -4.659   3.751  -0.538  1.00  0.00           N  
HETATM   10  O2  UNL     1      -5.874   1.822  -0.303  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.239   2.160   0.022  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.081   3.295   0.509  1.00  0.00           O  
HETATM   13  C8  UNL     1      -1.119   1.331  -0.561  1.00  0.00           C  
HETATM   14  O4  UNL     1      -1.185   1.591  -1.961  1.00  0.00           O  
HETATM   15  C9  UNL     1       0.183   1.894  -0.142  1.00  0.00           C  
HETATM   16  O5  UNL     1       0.271   3.086   0.177  1.00  0.00           O  
HETATM   17  C10 UNL     1       1.407   1.065  -0.091  1.00  0.00           C  
HETATM   18  C11 UNL     1       2.566   1.563   0.195  1.00  0.00           C  
HETATM   19  O6  UNL     1       2.685   2.925   0.461  1.00  0.00           O  
HETATM   20  C12 UNL     1       3.728   0.715   0.248  1.00  0.00           C  
HETATM   21  C13 UNL     1       4.945   1.301   0.518  1.00  0.00           C  
HETATM   22  O7  UNL     1       5.066   2.663   0.771  1.00  0.00           O  
HETATM   23  C14 UNL     1       6.079   0.534   0.541  1.00  0.00           C  
HETATM   24  C15 UNL     1       5.948  -0.825   0.287  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.724  -1.392   0.020  1.00  0.00           C  
HETATM   26  C17 UNL     1       3.578  -0.623  -0.004  1.00  0.00           C  
HETATM   27  C18 UNL     1       2.282  -1.287  -0.261  1.00  0.00           C  
HETATM   28  C19 UNL     1       2.503  -2.140  -1.518  1.00  0.00           C  
HETATM   29  O8  UNL     1       2.094  -2.166   0.835  1.00  0.00           O  
HETATM   30  C20 UNL     1       1.137  -0.375  -0.447  1.00  0.00           C  
HETATM   31  C21 UNL     1      -0.094  -0.711   0.360  1.00  0.00           C  
HETATM   32  O9  UNL     1      -0.256  -2.087   0.509  1.00  0.00           O  
HETATM   33  C22 UNL     1      -1.309  -0.118  -0.359  1.00  0.00           C  
HETATM   34  H1  UNL     1      -2.322  -3.078  -1.237  1.00  0.00           H  
HETATM   35  H2  UNL     1      -3.944  -3.148  -0.522  1.00  0.00           H  
HETATM   36  H3  UNL     1      -3.496  -1.650  -1.355  1.00  0.00           H  
HETATM   37  H4  UNL     1      -4.030  -3.292   1.407  1.00  0.00           H  
HETATM   38  H5  UNL     1      -2.798  -2.661   2.516  1.00  0.00           H  
HETATM   39  H6  UNL     1      -4.161  -1.638   2.031  1.00  0.00           H  
HETATM   40  H7  UNL     1      -2.158  -0.231   1.566  1.00  0.00           H  
HETATM   41  H8  UNL     1      -5.463  -0.449  -0.673  1.00  0.00           H  
HETATM   42  H9  UNL     1      -3.843   4.084  -1.095  1.00  0.00           H  
HETATM   43  H10 UNL     1      -5.347   4.465  -0.202  1.00  0.00           H  
HETATM   44  H11 UNL     1      -0.260   1.557  -2.286  1.00  0.00           H  
HETATM   45  H12 UNL     1       2.410   3.368   1.313  1.00  0.00           H  
HETATM   46  H13 UNL     1       5.949   3.090   0.966  1.00  0.00           H  
HETATM   47  H14 UNL     1       7.065   0.975   0.754  1.00  0.00           H  
HETATM   48  H15 UNL     1       6.875  -1.403   0.315  1.00  0.00           H  
HETATM   49  H16 UNL     1       4.693  -2.455  -0.169  1.00  0.00           H  
HETATM   50  H17 UNL     1       3.082  -3.046  -1.273  1.00  0.00           H  
HETATM   51  H18 UNL     1       3.004  -1.472  -2.238  1.00  0.00           H  
HETATM   52  H19 UNL     1       1.562  -2.465  -1.969  1.00  0.00           H  
HETATM   53  H20 UNL     1       2.254  -1.663   1.670  1.00  0.00           H  
HETATM   54  H21 UNL     1       0.891  -0.383  -1.553  1.00  0.00           H  
HETATM   55  H22 UNL     1      -0.035  -0.191   1.337  1.00  0.00           H  
HETATM   56  H23 UNL     1      -0.311  -2.334   1.467  1.00  0.00           H  
HETATM   57  H24 UNL     1      -1.339  -0.646  -1.340  1.00  0.00           H  
CONECT    1    2   34   35   36
CONECT    2    3    4
CONECT    3   37   38   39
CONECT    4    5   33   40
CONECT    5    6    7    7
CONECT    6   41
CONECT    7    8   11
CONECT    8    9   10   10
CONECT    9   42   43
CONECT   11   12   12   13
CONECT   13   14   15   33
CONECT   14   44
CONECT   15   16   16   17
CONECT   17   18   18   30
CONECT   18   19   20
CONECT   19   45
CONECT   20   21   21   26
CONECT   21   22   23
CONECT   22   46
CONECT   23   24   24   47
CONECT   24   25   48
CONECT   25   26   26   49
CONECT   26   27
CONECT   27   28   29   30
CONECT   28   50   51   52
CONECT   29   53
CONECT   30   31   54
CONECT   31   32   33   55
CONECT   32   56
CONECT   33   57
END
Download

SMILES for HMDB0014733 (Oxytetracycline)

[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
Download

INCHI for HMDB0014733 (Oxytetracycline)

InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2058-46-0 (mono-Hydrochloride)HMDB
5-Hydroxy-tetracyclineHMDB
5-HydroxytetracyclineHMDB
6153-64-6 (Di-hydrate)HMDB
6153-65-7 (Di-hydrochloride salt, di-hydrate)HMDB
7179-50-2 (Calcium (1:1) salt)HMDB
79-57-2 (ANHYDROUS)HMDB
AbbocinHMDB
AdamycinHMDB
Antibiotic TM 25HMDB
BerkmycenHMDB
BiostatHMDB
Biostat paHMDB
BisolvomycinHMDB
DabicyclineHMDB
DalimycinHMDB
FanterrinHMDB
GalsenomycinHMDB
GeomycinHMDB
GeotilinHMDB
HydroxytetracyclineHMDB
ImperacinHMDB
LenocyclineHMDB
LiquamycinHMDB
Liquamycin la 200HMDB
MacocynHMDB
MedamycinHMDB
Mycoshield TMQTHC 20HMDB
NSC 9169HMDB
NSC9169 (HCL)HMDB
OksisyklinHMDB
OssitetraciclinaHMDB
OTCHMDB
OxacyclineHMDB
OxitetraciclinaHMDB
OxitetracyclinHMDB
OxitetracyclinumHMDB
Oxy-kesso-tetraHMDB
OxydonHMDB
OxymycinHMDB
OxymykoinHMDB
OxypamHMDB
OxysteclinHMDB
OxyterracinHMDB
OxyterracineHMDB
OxyterracyneHMDB
OxytetracidHMDB
OxytetracyclinHMDB
Oxytetracycline (anhydrous)HMDB
Oxytetracycline amphotericHMDB
Oxytetracycline anhydrousHMDB
Oxytetracycline calciumHMDB
OxytetracyclinumHMDB
Pennox 200HMDB
ProteroxynaHMDB
RiomitsinHMDB
RyomycinHMDB
SolkaciclinaHMDB
StecsolinHMDB
StevacinHMDB
TarocynHMDB
TarosinHMDB
TeravitHMDB
TerrafungineHMDB
TerramitsinHMDB
TerramycinHMDB
TetranHMDB
UnimycinHMDB
UrsocyclinHMDB
UrsocyclineHMDB
VendarcinHMDB
Chemical FormulaC22H24N2O9
Average Molecular Weight460.434
Monoisotopic Molecular Weight460.148180376
IUPAC Name(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
Traditional Name(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CAS Registry Number79-57-2
SMILES
[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
InChI Identifier
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
InChI KeyJLGOGFIHBRJQHY-PXOLEDIWSA-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTetracyclines
Sub ClassNot Available
Direct ParentTetracyclines
Alternative Parents
Substituents
  • Tetracycline
  • Anthracene carboxylic acid or derivatives
  • 1-naphthol
  • Naphthalene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Cyclohexenone
  • Aralkylamine
  • Benzenoid
  • Cyclic alcohol
  • Tertiary alcohol
  • Vinylogous acid
  • Amino acid or derivatives
  • Tertiary amine
  • Tertiary aliphatic amine
  • Secondary alcohol
  • Primary carboxylic acid amide
  • Carboxamide group
  • Ketone
  • Polyol
  • Carboxylic acid derivative
  • Enol
  • Organooxygen compound
  • Amine
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organonitrogen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point183 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.4 g/LNot Available
LogP-1.3Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.87 g/LALOGPS
logP-0.94ALOGPS
logP-4.8ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)0.27ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area201.85 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity115.3 m³·mol⁻¹ChemAxon
Polarizability44.04 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-235.14230932474
DeepCCS[M+Na]+209.44530932474
AllCCS[M+H]+203.832859911
AllCCS[M+H-H2O]+201.632859911
AllCCS[M+NH4]+205.832859911
AllCCS[M+Na]+206.432859911
AllCCS[M-H]-208.032859911
AllCCS[M+Na-2H]-208.632859911
AllCCS[M+HCOO]-209.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Oxytetracycline[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C4824.3Standard polar33892256
Oxytetracycline[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C3444.1Standard non polar33892256
Oxytetracycline[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)C4=C(O)C=CC=C4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C3896.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oxytetracycline,1TMS,isomer #1CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123596.5Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #2CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123569.1Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #3CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123607.8Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #4CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123598.4Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #5CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123627.4Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123583.2Semi standard non polar33892256
Oxytetracycline,1TMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123638.8Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123533.0Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #10CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123510.7Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #11CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123520.1Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #12CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123560.0Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123586.6Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123552.8Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123594.7Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #16CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123526.8Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #17CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123548.7Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123543.1Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123569.9Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #2CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123566.0Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123588.1Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #21CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123558.0Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #22CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123612.2Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #3CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123502.9Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #4CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123543.5Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #5CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123522.0Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #6CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123554.8Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123507.2Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #8CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123534.5Semi standard non polar33892256
Oxytetracycline,2TMS,isomer #9CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123546.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123535.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #10CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123535.9Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #11CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123492.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123477.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123532.1Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123549.6Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123499.4Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123564.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #17CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123513.3Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #18CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123532.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123484.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123477.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #20CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123472.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123565.3Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #22CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123517.3Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123514.5Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123544.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123546.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123489.6Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #27CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123537.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #28CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123570.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #29CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123539.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123532.6Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #30CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123544.8Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #31CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123565.8Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #32CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123586.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #33CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123552.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123588.5Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #35CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123527.0Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #36CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123502.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123533.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #38CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123553.6Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #39CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123537.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123497.4Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #40CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123587.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #41CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123562.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123502.5Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #6CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123523.2Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #7CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123568.5Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #8CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123532.7Semi standard non polar33892256
Oxytetracycline,3TMS,isomer #9CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123549.3Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123495.2Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #10CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123482.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #11CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123534.8Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #12CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123564.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123515.9Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123505.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123572.3Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123573.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #17CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123523.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123560.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #19CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123541.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123552.9Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123531.3Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123477.4Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #22CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123521.7Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123541.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123568.2Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123538.2Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #26CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123554.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #27CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123504.3Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #28CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123494.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #29CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123526.7Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123516.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #30CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123521.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #31CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123471.6Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #32CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123523.7Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #33CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123574.6Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123561.8Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #35CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123505.1Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123537.6Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123540.9Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #38CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123567.9Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #39CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123519.9Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123513.4Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #40CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123571.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #41CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123558.6Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #42CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123534.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #43CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123568.0Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #44CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123574.6Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #45CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123590.8Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #46CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123570.8Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #47CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123515.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #48CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123534.2Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #49CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123557.4Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123513.5Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #50CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123549.7Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123470.8Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123464.2Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #8CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123534.4Semi standard non polar33892256
Oxytetracycline,4TMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123524.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123536.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #10CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123493.2Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #11CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123524.6Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #12CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123558.0Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #13CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123562.1Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #14CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123538.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123569.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123573.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #17CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123519.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123532.6Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #19CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123584.5Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123505.4Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123581.4Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123548.2Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #22CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123564.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123571.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123530.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123571.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #26CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123556.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #27CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123556.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #28CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123510.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #29CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123535.3Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123496.1Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #30CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123550.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #31CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123571.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #32CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123532.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #33CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123586.2Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123581.6Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #35CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123540.4Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123569.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #37CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123578.1Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #38CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123575.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #39CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123570.9Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123562.4Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #40CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123590.0Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #41CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123549.3Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123566.5Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123523.0Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123537.7Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #8CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123535.8Semi standard non polar33892256
Oxytetracycline,5TMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123537.0Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123570.8Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #10CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123549.0Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #11CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123599.4Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123610.0Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123597.7Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123554.9Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123602.5Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123600.7Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #17CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123595.6Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #18CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123592.3Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123557.9Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123575.1Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #20CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123596.4Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123610.6Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #22CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O)[C@@H]123605.4Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123537.2Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123541.8Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123601.3Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123588.0Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123562.1Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #8CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123589.3Semi standard non polar33892256
Oxytetracycline,6TMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C)[C@@H]123584.9Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #1CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123812.9Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #2CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123825.6Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #3CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123843.8Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #4CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]123814.6Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #5CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123854.5Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123853.7Semi standard non polar33892256
Oxytetracycline,1TBDMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123892.0Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123985.8Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #10CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]123966.1Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #11CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123988.4Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #12CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124017.0Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #13CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124018.0Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #14CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124003.3Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124040.6Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #16CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]123989.2Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #17CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]123981.0Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]123993.7Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124031.6Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #2CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123994.2Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124030.2Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #21CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124019.3Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #22CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124035.1Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #3CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123955.7Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #4CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123984.9Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #5CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123967.0Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #6CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123978.6Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123964.4Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #8CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]123975.5Semi standard non polar33892256
Oxytetracycline,2TBDMS,isomer #9CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124009.7Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124162.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #10CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124175.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #11CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124142.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124096.6Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #13CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124185.1Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124146.6Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124109.9Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124152.3Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #17CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124147.8Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #18CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124170.3Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124130.8Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124115.1Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #20CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124096.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #21CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124193.9Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #22CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124153.3Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124129.1Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #24CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124203.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124188.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124124.3Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #27CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124154.6Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #28CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124193.0Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #29CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124181.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124157.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #30CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124162.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #31CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124199.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #32CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124197.1Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #33CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124191.3Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124215.0Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #35CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124164.9Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #36CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124107.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124154.4Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #38CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O)[C@@H]124166.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #39CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124150.0Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124140.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #40CN(C)[C@@H]1C(O)=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124190.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #41CN(C)[C@@H]1C(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)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]124159.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124099.2Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #6CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124143.5Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #7CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(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=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124184.8Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #8CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124156.7Semi standard non polar33892256
Oxytetracycline,3TBDMS,isomer #9CN(C)[C@@H]1C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124132.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Oxytetracycline GC-MS (Non-derivatized) - 70eV, Positivesplash10-059w-9775700000-352b3c97029629bdf6de2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxytetracycline GC-MS (3 TMS) - 70eV, Positivesplash10-03di-3063009000-aa89d9ddee9caea8ebdc2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxytetracycline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 10V, Positive-QTOFsplash10-002f-0000900000-da39983197f199b0cc132017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 20V, Positive-QTOFsplash10-004l-0000900000-f236df84f8ef8113e1672017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 40V, Positive-QTOFsplash10-004i-3239700000-c08203bbbefab1ff8d6a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 10V, Negative-QTOFsplash10-0a4i-0001900000-4037530eb747d14187712017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 20V, Negative-QTOFsplash10-0295-0236900000-c490454f643a14ddc0e72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 40V, Negative-QTOFsplash10-000f-8496000000-e06d26bc8c0a9a6c0d792017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 10V, Positive-QTOFsplash10-0006-0000900000-4207f777fe00b10480ae2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 20V, Positive-QTOFsplash10-004l-0000900000-08915c90c150acb59d052021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 40V, Positive-QTOFsplash10-00dl-4597700000-dfeff690edd73eefaa202021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 10V, Negative-QTOFsplash10-0a4i-0001900000-38432ea0636d7cebf0ea2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 20V, Negative-QTOFsplash10-052f-2024900000-b3986f27e5056b2355712021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxytetracycline 40V, Negative-QTOFsplash10-0076-3291400000-baea655f6f2c960f138b2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00595 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00595 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002390
KNApSAcK IDNot Available
Chemspider ID10482174
KEGG Compound IDC06624
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOxytetracycline
METLIN IDNot Available
PubChem Compound54715139
PDB IDOTC
ChEBI ID27701
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Solis Y, Chavarria G, Garcia F, Rodriguez C: Exposure of a Tropical Soil to MG/KG of Oxytetracycline Elicits Hormetic Responses in the Catabolic Activities of Its Microbial Community. Dose Response. 2011;9(3):434-41. doi: 10.2203/dose-response.10-045.Rodriguez. Epub 2011 Apr 30. [PubMed:22013404 ]
  2. Ci X, Chu X, Chen C, Li X, Yan S, Wang X, Yang Y, Deng X: Oxytetracycline attenuates allergic airway inflammation in mice via inhibition of the NF-kappaB pathway. J Clin Immunol. 2011 Apr;31(2):216-27. doi: 10.1007/s10875-010-9481-7. Epub 2010 Dec 7. [PubMed:21136283 ]
  3. Sundell K, Wiklund T: Effect of biofilm formation on antimicrobial tolerance of Flavobacterium psychrophilum. J Fish Dis. 2011 May;34(5):373-83. doi: 10.1111/j.1365-2761.2011.01250.x. Epub 2011 Mar 24. [PubMed:21488905 ]
  4. Le Breton MH, Savoy-Perroud MC, Diserens JM: Validation and comparison of the Copan Milk Test and Delvotest SP-NT for the detection of antimicrobials in milk. Anal Chim Acta. 2007 Mar 14;586(1-2):280-3. Epub 2006 Dec 2. [PubMed:17386724 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Transporters

Enzyme Details
1. Solute carrier family 22 member 11
General function:
Involved in transporter activity
Specific function:
Mediates saturable uptake of estrone sulfate, dehydroepiandrosterone sulfate and related compounds
Gene Name:
SLC22A11
Uniprot ID:
Q9NSA0
Molecular weight:
59970.9
References
  1. Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Sakthisekaran D, Endou H: Human organic anion transporters mediate the transport of tetracycline. Jpn J Pharmacol. 2002 Jan;88(1):69-76. [PubMed:11855680 ]
Enzyme Details
2. Solute carrier family 22 member 6
General function:
Involved in ion transmembrane transporter activity
Specific function:
Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one molecule of endogenous dicarboxylic acid (glutarate, ketoglutarate, etc). Mediates the sodium-independent uptake of 2,3-dimercapto-1-propanesulfonic acid (DMPS). Mediates the sodium-independent uptake of p- aminohippurate (PAH), ochratoxin (OTA), acyclovir (ACV), 3'-azido- 3-'deoxythymidine (AZT), cimetidine (CMD), 2,4-dichloro- phenoxyacetate (2,4-D), hippurate (HA), indoleacetate (IA), indoxyl sulfate (IS) and 3-carboxy-4-methyl-5-propyl-2- furanpropionate (CMPF), cidofovir, adefovir, 9-(2- phosphonylmethoxyethyl) guanine (PMEG), 9-(2- phosphonylmethoxyethyl) diaminopurine (PMEDAP) and edaravone sulfate. PAH uptake is inhibited by p- chloromercuribenzenesulphonate (PCMBS), diethyl pyrocarbonate (DEPC), sulindac, diclofenac, carprofen, glutarate and okadaic acid. PAH uptake is inhibited by benzothiazolylcysteine (BTC), S-chlorotrifluoroethylcysteine (CTFC), cysteine S-conjugates S-dichlorovinylcysteine (DCVC), furosemide, steviol, phorbol 12-myristate 13-acetate (PMA), calcium ionophore A23187, benzylpenicillin, furosemide, indomethacin, bumetamide, losartan, probenecid, phenol red, urate, and alpha-ketoglutarate
Gene Name:
SLC22A6
Uniprot ID:
Q4U2R8
Molecular weight:
61815.8
References
  1. Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Sakthisekaran D, Endou H: Human organic anion transporters mediate the transport of tetracycline. Jpn J Pharmacol. 2002 Jan;88(1):69-76. [PubMed:11855680 ]
Enzyme Details
3. Solute carrier family 22 member 7
General function:
Involved in transmembrane transport
Specific function:
Mediates sodium-independent multispecific organic anion transport. Transport of prostaglandin E2, prostaglandin F2, tetracycline, bumetanide, estrone sulfate, glutarate, dehydroepiandrosterone sulfate, allopurinol, 5-fluorouracil, paclitaxel, L-ascorbic acid, salicylate, ethotrexate, and alpha- ketoglutarate
Gene Name:
SLC22A7
Uniprot ID:
Q9Y694
Molecular weight:
60025.0
References
  1. Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Sakthisekaran D, Endou H: Human organic anion transporters mediate the transport of tetracycline. Jpn J Pharmacol. 2002 Jan;88(1):69-76. [PubMed:11855680 ]