LMPK12050441
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5789    9.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    8.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256    7.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2723    8.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2723    9.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256    9.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1188    7.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9655    8.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9655    9.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1188    9.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118    7.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118    6.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6224    6.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6224    7.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    8.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1188    6.9512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256    6.9512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256   10.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    9.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5266    6.3612    0.0000 O   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050441

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,8,2',4'-Pentahydroxyisoflavone

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LOLNVJIGYUJCIY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033264

> <CHEBI_ID>
174879

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3884

> <CITATION>
-

$$$$