LMPK12050230
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5157    9.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157    8.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2762    8.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2762    9.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958   10.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1564    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0367    8.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0367    9.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1564   10.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1564    7.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7316    9.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    7.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9169    7.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9169    6.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8577    6.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7985    6.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7985    7.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8577    8.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5674    8.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6030    6.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7776   11.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   13.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628   13.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4110   11.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3093   13.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5025   10.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829   11.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7717   12.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6770   12.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4965   12.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4019   12.7925    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  6  1  1     0  0
M  END
> <LM_ID>
LMPK12050230

> <COMMON_NAME>
8-C-Glucosylorobol

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyisoflavone 8-C-glucoside

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FONGWVNORDOJFQ-FFYOZGDPSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-5-13-17(28)18(29)19(30)21(32-13)15-12(26)4-11(25)14-16(27)8(6-31-20(14)15)7-1-2-9(23)10(24)3-7/h1-4,6,13,17-19,21-26,28-30H,5H2/t13-,17-,18+,19-,21+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3C=C(O)C(O)=CC=3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676216

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$