LMPK12050449
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.6855    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6855    7.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0565    7.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0565    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    8.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4274    7.4568    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4274    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    8.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1129    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1129    6.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    5.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    6.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    7.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    6.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2643    5.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3315    6.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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  1  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050449

> <COMMON_NAME>
3'-Hydroxydihydroformononetin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YGHJHKYZTVTYQW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(OC)C(O)=C3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029870

> <CHEBI_ID>
174721

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13963918

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$