LMPK12050167
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.4579    9.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3387    9.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    9.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0996    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0996    8.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0128    7.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9257    8.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9257    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0128    9.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    8.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0128    6.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7987    7.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7987    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6714    6.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5444    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5444    7.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6714    8.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4172    6.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2195    6.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4443    7.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7601    6.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947    7.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805    9.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659    9.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6184    9.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6116    8.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7668    7.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9342    8.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1085    9.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572    9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149    8.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2907   10.4212    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
 19 16  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
 25 32  1  0     0  0
 32 33  2  0     0  0
 32 34  1  0     0  0
M  END
> <LM_ID>
LMPK12050167

> <COMMON_NAME>
Genistin 6''-O-acetate

> <SYSTEMATIC_NAME>
7-(6-O-Acetyl-beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C23H22O11

> <MASS>
474.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DXWGBJJLEDQBKS-LDBVRRDLSA-N

> <INCHI>
InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3/t17-,20-,21+,22-,23-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O1)C1C=C(O)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>
5315831

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$