LMPK12050168
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    7.3462   10.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415   10.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362   10.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362    8.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642    8.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9924    8.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9924   10.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642   10.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462    8.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    8.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0642    7.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9200    8.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9200    7.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8071    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6943    7.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6943    8.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8071    8.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4515    6.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6158   10.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    7.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4119    6.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5285    5.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6844    3.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5880    5.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4181    2.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0096    6.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9897    6.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5484    5.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1263    4.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1462    4.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7240    3.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
  1 19  1  0  0  0  0
 10 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 18  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12050168

> <COMMON_NAME>
Genistein 4'-O-glucoside

> <SYSTEMATIC_NAME>
3-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Sophoricoside

> <INCHI_KEY>
ISQRJFLLIDGZEP-CMWLGVBASA-N

> <INCHI>
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188772

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321398

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3897

> <CITATION>
-

$$$$