LMPK12050174
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    9.1466   10.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0190    9.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8916   10.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    9.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    8.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684    8.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5730    8.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5730    9.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684   10.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0194    8.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8916    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684    7.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4768    8.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4768    7.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3416    6.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2064    7.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2064    8.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3416    8.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0711    6.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750    7.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6924    5.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9291    4.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3537    5.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2029    7.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7415    7.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9960    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9047    6.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0203    5.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2327    6.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241    7.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5363    7.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 11 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 20  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>
LMPK12050174

> <COMMON_NAME>
Genistein 5-O-glucoside

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxyisoflavone 5-O-glucoside

> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TXLQONQJSWSJJX-CMWLGVBASA-N

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

> <SMILES>
OC1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2C(=O)C(C3C=CC(O)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14583643

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 140311

> <CITATION>
-

$$$$