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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 20:18:34 UTC

Update Date

2021-09-26 23:15:42 UTC

HMDB ID

HMDB0258645

Secondary Accession Numbers

None

Metabolite Identification

Common Name

7-O-Methylapigenin 6-C-beta-D-glucopyranoside

Description

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Based on a literature review very few articles have been published on 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one. This compound has been identified in human blood as reported by (PMID: 31557052 ). 7-o-methylapigenin 6-c-beta-d-glucopyranoside is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 7-O-Methylapigenin 6-C-beta-D-glucopyranoside is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652310051719562D          

 32 35  0  0  0  0            999 V2000
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  2  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30  1  1  0  0  0  0
 30 13  1  0  0  0  0
 31 12  1  0  0  0  0
 31 14  1  0  0  0  0
 32 15  1  0  0  0  0
 32 22  1  0  0  0  0
M  END

HMDB0258646
     RDKit          3D
Swertisin
 54 57  0  0  0  0  0  0  0  0999 V2000
   -0.7582    0.5431   -3.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441    0.1659   -2.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.0057   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094    0.2029   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    0.0345   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    0.2241   -0.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    0.0959    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.3263    0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071    0.6975   -0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    0.9491   -1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8552    0.8238   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985    1.0741   -0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4723    0.4606    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1433    0.2071    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915   -0.2705    1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258   -0.4926    2.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -0.8255    3.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -0.3330    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2681   -0.5338    1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407   -0.8930    2.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.3771    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.5665    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    0.6390   -0.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3665    0.3025   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9368    1.4465   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1057    2.5237   -0.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2647   -0.0036    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -0.3746   -0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -1.1567    1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270   -2.3312    0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -1.0502    1.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245   -2.3984    1.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    1.6067   -3.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712    0.4406   -4.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927   -0.1357   -3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    0.4923   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.8029   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    1.2375   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8328    0.3609   -0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.3658    2.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -0.0772    2.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.4020    2.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -1.0907    3.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -1.3028   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120   -0.5929   -1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    1.7302   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    1.1130   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7459    3.3495   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3261    0.9405    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0373   -0.8195    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2379   -1.1847    2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9552   -2.6220    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -0.4329    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995   -2.8837    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 21  3  1  0
 31 22  1  0
 18  5  2  0
 14  8  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  4 36  1  0
  9 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 25 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  END

  Mrv1652310051719562D          

 32 35  0  0  0  0            999 V2000
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  2  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30  1  1  0  0  0  0
 30 13  1  0  0  0  0
 31 12  1  0  0  0  0
 31 14  1  0  0  0  0
 32 15  1  0  0  0  0
 32 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258645

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3

> <INCHI_KEY>
ABRULANJVVJLFI-UHFFFAOYSA-N

> <FORMULA>
C22H22O10

> <MOLECULAR_WEIGHT>
446.408

> <EXACT_MASS>
446.121296908

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
44.64085132823624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

> <ALOGPS_LOGP>
0.60

> <JCHEM_LOGP>
0.09526228466666686

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.731803084458539

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.925745368568145

> <JCHEM_PKA_STRONGEST_BASIC>
-2.97919262769486

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
110.51449999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258646
     RDKit          3D
Swertisin
 54 57  0  0  0  0  0  0  0  0999 V2000
   -0.7582    0.5431   -3.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441    0.1659   -2.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.0057   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094    0.2029   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    0.0345   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    0.2241   -0.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    0.0959    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.3263    0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071    0.6975   -0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    0.9491   -1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8552    0.8238   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985    1.0741   -0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4723    0.4606    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1433    0.2071    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915   -0.2705    1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258   -0.4926    2.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -0.8255    3.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -0.3330    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2681   -0.5338    1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407   -0.8930    2.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.3771    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.5665    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    0.6390   -0.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3665    0.3025   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9368    1.4465   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1057    2.5237   -0.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2647   -0.0036    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -0.3746   -0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -1.1567    1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270   -2.3312    0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -1.0502    1.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245   -2.3984    1.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    1.6067   -3.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712    0.4406   -4.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927   -0.1357   -3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    0.4923   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.8029   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    1.2375   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8328    0.3609   -0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.3658    2.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -0.0772    2.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.4020    2.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -1.0907    3.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -1.3028   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120   -0.5929   -1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    1.7302   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    1.1130   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7459    3.3495   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3261    0.9405    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0373   -0.8195    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2379   -1.1847    2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9552   -2.6220    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -0.4329    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995   -2.8837    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 21  3  1  0
 31 22  1  0
 18  5  2  0
 14  8  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  4 36  1  0
  9 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 25 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  END

HEADER    PROTEIN                                 05-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-OCT-17         0                                  
HETATM    1  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       6.668   8.470   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.000   1.540   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
CONECT    1   30                                                            
CONECT    2    4    9                                                       
CONECT    3    5    9                                                       
CONECT    4    2   10                                                       
CONECT    5    3   10                                                       
CONECT    6   11   12                                                       
CONECT    7   13   14                                                       
CONECT    8   15   23                                                       
CONECT    9    2    3   12                                                  
CONECT   10    4    5   24                                                  
CONECT   11    6   16   25                                                  
CONECT   12    6    9   31                                                  
CONECT   13    7   17   30                                                  
CONECT   14    7   16   31                                                  
CONECT   15    8   18   32                                                  
CONECT   16   11   14   19                                                  
CONECT   17   13   19   22                                                  
CONECT   18   15   20   26                                                  
CONECT   19   16   17   27                                                  
CONECT   20   18   21   28                                                  
CONECT   21   20   22   29                                                  
CONECT   22   17   21   32                                                  
CONECT   23    8                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   18                                                            
CONECT   27   19                                                            
CONECT   28   20                                                            
CONECT   29   21                                                            
CONECT   30    1   13                                                       
CONECT   31   12   14                                                       
CONECT   32   15   22                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0258645
HETATM    1  C1  UNL     1      -0.944  -1.068  -3.045  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.376  -0.641  -1.780  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.543  -0.227  -0.757  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.801  -0.250  -0.923  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.619   0.179   0.125  1.00  0.00           C  
HETATM    6  O2  UNL     1       2.911   0.154  -0.009  1.00  0.00           O  
HETATM    7  C5  UNL     1       3.786   0.526   0.915  1.00  0.00           C  
HETATM    8  C6  UNL     1       5.189   0.407   0.587  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.164   0.780   1.461  1.00  0.00           C  
HETATM   10  C8  UNL     1       7.485   0.536   1.131  1.00  0.00           C  
HETATM   11  C9  UNL     1       7.783  -0.073  -0.074  1.00  0.00           C  
HETATM   12  O3  UNL     1       9.129  -0.318  -0.391  1.00  0.00           O  
HETATM   13  C10 UNL     1       6.799  -0.447  -0.958  1.00  0.00           C  
HETATM   14  C11 UNL     1       5.488  -0.203  -0.621  1.00  0.00           C  
HETATM   15  C12 UNL     1       3.345   0.988   2.122  1.00  0.00           C  
HETATM   16  C13 UNL     1       1.950   1.029   2.308  1.00  0.00           C  
HETATM   17  O4  UNL     1       1.529   1.446   3.400  1.00  0.00           O  
HETATM   18  C14 UNL     1       1.075   0.630   1.328  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.325   0.633   1.432  1.00  0.00           C  
HETATM   20  O5  UNL     1      -0.892   1.069   2.605  1.00  0.00           O  
HETATM   21  C16 UNL     1      -1.145   0.199   0.385  1.00  0.00           C  
HETATM   22  C17 UNL     1      -2.593   0.000   0.609  1.00  0.00           C  
HETATM   23  O6  UNL     1      -3.013  -1.159   0.108  1.00  0.00           O  
HETATM   24  C18 UNL     1      -4.223  -1.444  -0.345  1.00  0.00           C  
HETATM   25  C19 UNL     1      -4.949  -2.307   0.715  1.00  0.00           C  
HETATM   26  O7  UNL     1      -6.207  -2.664   0.197  1.00  0.00           O  
HETATM   27  C20 UNL     1      -5.089  -0.286  -0.621  1.00  0.00           C  
HETATM   28  O8  UNL     1      -5.575  -0.449  -1.954  1.00  0.00           O  
HETATM   29  C21 UNL     1      -4.537   1.084  -0.504  1.00  0.00           C  
HETATM   30  O9  UNL     1      -5.569   1.982  -0.357  1.00  0.00           O  
HETATM   31  C22 UNL     1      -3.449   1.225   0.569  1.00  0.00           C  
HETATM   32  O10 UNL     1      -2.660   2.365   0.245  1.00  0.00           O  
HETATM   33  H1  UNL     1      -0.616  -2.124  -3.088  1.00  0.00           H  
HETATM   34  H2  UNL     1      -1.760  -0.831  -3.768  1.00  0.00           H  
HETATM   35  H3  UNL     1      -0.039  -0.472  -3.373  1.00  0.00           H  
HETATM   36  H4  UNL     1       1.318  -0.585  -1.815  1.00  0.00           H  
HETATM   37  H5  UNL     1       5.939   1.288   2.418  1.00  0.00           H  
HETATM   38  H6  UNL     1       8.291   0.841   1.837  1.00  0.00           H  
HETATM   39  H7  UNL     1       9.867  -0.073   0.214  1.00  0.00           H  
HETATM   40  H8  UNL     1       7.003  -0.932  -1.917  1.00  0.00           H  
HETATM   41  H9  UNL     1       4.695  -0.499  -1.338  1.00  0.00           H  
HETATM   42  H10 UNL     1       4.020   1.302   2.892  1.00  0.00           H  
HETATM   43  H11 UNL     1      -0.503   1.368   3.420  1.00  0.00           H  
HETATM   44  H12 UNL     1      -2.597  -0.230   1.780  1.00  0.00           H  
HETATM   45  H13 UNL     1      -4.207  -2.179  -1.223  1.00  0.00           H  
HETATM   46  H14 UNL     1      -4.385  -3.219   0.959  1.00  0.00           H  
HETATM   47  H15 UNL     1      -5.038  -1.715   1.662  1.00  0.00           H  
HETATM   48  H16 UNL     1      -6.883  -2.409   0.900  1.00  0.00           H  
HETATM   49  H17 UNL     1      -6.040  -0.388  -0.019  1.00  0.00           H  
HETATM   50  H18 UNL     1      -5.039  -1.141  -2.445  1.00  0.00           H  
HETATM   51  H19 UNL     1      -4.055   1.384  -1.491  1.00  0.00           H  
HETATM   52  H20 UNL     1      -5.202   2.886  -0.612  1.00  0.00           H  
HETATM   53  H21 UNL     1      -3.959   1.464   1.490  1.00  0.00           H  
HETATM   54  H22 UNL     1      -2.772   2.567  -0.717  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   36
CONECT    5    6   18   18
CONECT    6    7
CONECT    7    8   15   15
CONECT    8    9    9   14
CONECT    9   10   37
CONECT   10   11   11   38
CONECT   11   12   13
CONECT   12   39
CONECT   13   14   14   40
CONECT   14   41
CONECT   15   16   42
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   20   21   21
CONECT   20   43
CONECT   21   22
CONECT   22   23   31   44
CONECT   23   24
CONECT   24   25   27   45
CONECT   25   26   46   47
CONECT   26   48
CONECT   27   28   29   49
CONECT   28   50
CONECT   29   30   31   51
CONECT   30   52
CONECT   31   32   53
CONECT   32   54
END

HMDB0258646
     RDKit          3D
Swertisin
 54 57  0  0  0  0  0  0  0  0999 V2000
   -0.7582    0.5431   -3.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441    0.1659   -2.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.0057   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094    0.2029   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    0.0345   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    0.2241   -0.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    0.0959    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.3263    0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071    0.6975   -0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    0.9491   -1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8552    0.8238   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985    1.0741   -0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4723    0.4606    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1433    0.2071    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915   -0.2705    1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258   -0.4926    2.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -0.8255    3.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -0.3330    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2681   -0.5338    1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407   -0.8930    2.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.3771    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.5665    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    0.6390   -0.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3665    0.3025   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9368    1.4465   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1057    2.5237   -0.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2647   -0.0036    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -0.3746   -0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -1.1567    1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270   -2.3312    0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -1.0502    1.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245   -2.3984    1.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572    1.6067   -3.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712    0.4406   -4.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927   -0.1357   -3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    0.4923   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854    0.8029   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    1.2375   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8328    0.3609   -0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.3658    2.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -0.0772    2.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.4020    2.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -1.0907    3.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -1.3028   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120   -0.5929   -1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    1.7302   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    1.1130   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7459    3.3495   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3261    0.9405    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0373   -0.8195    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2379   -1.1847    2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9552   -2.6220    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -0.4329    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995   -2.8837    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  7 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 21  3  1  0
 31 22  1  0
 18  5  2  0
 14  8  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  4 36  1  0
  9 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 22 44  1  0
 24 45  1  0
 25 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₂H₂₂O₁₀

Average Molecular Weight

446.408

Monoisotopic Molecular Weight

446.121296908

IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

Traditional Name

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3

InChI Key

ABRULANJVVJLFI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
7-methoxyflavonoid-skeleton
Hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
Chromone
C-glycosyl compound
1-benzopyran
Benzopyran
Anisole
Alkyl aryl ether
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Polyol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Primary alcohol
Alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.6	ALOGPS
logP	0.095	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.93	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	110.51 m³·mol⁻¹	ChemAxon
Polarizability	44.64 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	201.067	30932474
DeepCCS	[M-H]-	198.671	30932474
DeepCCS	[M-2H]-	231.554	30932474
DeepCCS	[M+Na]+	206.979	30932474
AllCCS	[M+H]+	201.9	32859911
AllCCS	[M+H-H2O]+	199.7	32859911
AllCCS	[M+NH4]+	203.9	32859911
AllCCS	[M+Na]+	204.4	32859911
AllCCS	[M-H]-	196.7	32859911
AllCCS	[M+Na-2H]-	197.0	32859911
AllCCS	[M+HCOO]-	197.5	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4358.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4012.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	6210.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4326.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3991.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6396.9	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4314.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4017.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6393.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4326.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3932.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6228.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4342.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3942.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6239.9	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4321.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3954.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	6264.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4281.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4041.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5568.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4236.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4005.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5519.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4238.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4011.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5547.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4222.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4020.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5547.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4244.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3894.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5392.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4242.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3918.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5448.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4246.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3917.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5442.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4236.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4077.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5567.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4205.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3993.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5465.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4215.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4013.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5493.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4219.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4012.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5492.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4226.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4055.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5627.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4208.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3970.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5519.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4217.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3987.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5550.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4225.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3993.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5549.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4106.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4096.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5146.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4093.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3938.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5021.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4090.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4007.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5056.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4089.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4021.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5097.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4078.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4026.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5080.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4068.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3890.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4980.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4071.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3931.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5029.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4076.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3923.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5010.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4112.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3925.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4941.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4104.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3974.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4995.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4088.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3942.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4979.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4084.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3995.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5081.9	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4139.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3852.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4862.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4129.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4012.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5117.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4092.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4015.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5106.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4076.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4030.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5060.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4086.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4043.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5097.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4063.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4047.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5083.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4090.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3908.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4988.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4085.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3952.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	5033.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3969.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4005.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4760.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3995.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3836.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4603.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3968.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	3904.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4638.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3970.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3972.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4687.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3952.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3924.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4664.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3959.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3831.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4569.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4015.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3879.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4506.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4033.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4004.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4801.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3961.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4022.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4781.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3996.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3882.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4709.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3994.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3943.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4755.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4001.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3910.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4735.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3994.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3914.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4666.9	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3991.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3985.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4711.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3985.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3936.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,4TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4696.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3944.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3893.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4425.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3947.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3961.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4470.9	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3927.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3906.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4448.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3931.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3823.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4362.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3960.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3857.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4294.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3915.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	3854.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,5TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4251.7	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,6TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3891.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,6TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	3849.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,6TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C)C=C1)O2	4137.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4580.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4269.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #1	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	6071.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4578.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4246.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6164.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4556.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4262.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6202.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4609.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4174.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6064.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4615.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4189.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	6069.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4609.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4198.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,1TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	6095.7	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4770.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4524.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5499.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4715.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4456.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5436.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4729.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4471.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5455.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4722.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4477.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5459.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4717.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4365.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5342.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4736.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4389.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5389.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4741.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4397.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5379.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4728.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4542.6	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5501.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4707.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4479.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5426.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4732.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4497.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5445.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4726.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4497.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5450.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4718.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4525.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5512.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4721.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4445.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5433.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4733.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4464.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5454.1	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4736.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4468.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,2TBDMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5459.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4859.8	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4761.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5191.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4812.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4609.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5087.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4785.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4664.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5103.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4820.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4663.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5123.7	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4789.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4687.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5123.4	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4797.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4552.3	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5035.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4810.2	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4609.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5080.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4806.3	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4591.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5061.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4795.6	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	4578.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C=C1)O2	5014.0	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4804.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4639.2	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5058.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4796.0	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4601.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	5042.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4855.7	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4663.9	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5134.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4795.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4520.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C=C1)O2	4955.8	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4891.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4660.8	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5154.5	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4868.5	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4690.1	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5157.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4802.9	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4685.4	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5123.2	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4851.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4683.5	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5143.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4809.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4707.0	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5142.6	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4800.4	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4579.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5058.3	Standard polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4802.1	Semi standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	4634.7	Standard non polar	33892256
7-O-Methylapigenin 6-C-beta-D-glucopyranoside,3TBDMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)O2	5099.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one GC-MS (Non-derivatized) - 70eV, Positive	splash10-0072-5149400000-2fcc9cbadb249877b81d	2018-04-09	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 6V, Positive-QTOF	splash10-000j-0097300000-d57ae5aacd208f0750da	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 6V, Positive-QTOF	splash10-000j-0097300000-75d225cf2d6dc57831b2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 6V, Negative-QTOF	splash10-0002-0040900000-a4e8eb7520888f286d6b	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 10V, Positive-QTOF	splash10-002b-0000900000-4d4ce422be6b53e2786d	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 20V, Positive-QTOF	splash10-01r2-2211900000-e0d872babeac69d224e9	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 40V, Positive-QTOF	splash10-03ed-4095200000-48f825120a242a45c51b	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 10V, Negative-QTOF	splash10-0002-0001900000-7479afbe4904d801ecab	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 20V, Negative-QTOF	splash10-00c1-7347900000-e8983a4bbb4236099a2b	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-O-Methylapigenin 6-C-beta-D-glucopyranoside 40V, Negative-QTOF	splash10-000x-9356100000-7f722148468d407b8578	2018-04-06	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

328152

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

369636

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 7-O-Methylapigenin 6-C-beta-D-glucopyranoside (HMDB0258645)

MOL for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

3D MOL for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

3D SDF for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

3D-SDF for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

PDB for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

3D PDB for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

SMILES for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

INCHI for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

Structure for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

3D Structure for HMDB0258645 (7-O-Methylapigenin 6-C-beta-D-glucopyranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra