LMPK12050156
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.8837    9.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963    9.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7090    9.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6212    9.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6212    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    7.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5136    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5136    9.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    9.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    8.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7090    7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    6.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4590    7.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4590    6.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3637    6.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2681    6.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2681    7.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3637    8.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3637    9.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6918    6.6591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    7.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3961    6.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5933    7.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1555    9.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7244    8.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    9.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1426    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    7.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4146    8.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3344    9.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4330    9.5397    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
 18 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  1  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>
LMPK12050156

> <COMMON_NAME>
Isogenistein 7-O-glucoside

> <SYSTEMATIC_NAME>
5,7,2'-Trihydroxyisoflavone 7-O-glucoside

> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VEEIDCZENCXYKD-CMWLGVBASA-N

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

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C(O)C2C(=O)C(C3C(O)=CC=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
165342954

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$