LMPK12050475
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    6.8914    9.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8914    8.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7223    7.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5532    8.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5532    9.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7223    9.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3841    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2151    8.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2151    9.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3841    9.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0460    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0460    6.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9344    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8229    6.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8229    7.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9344    8.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3841    6.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7223    6.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6538    6.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9474    6.8406    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
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050475

> <COMMON_NAME>
Dihydrobiochanin A

> <SYSTEMATIC_NAME>
(3S)-3alpha-(4-Methoxyphenyl)-5,7-dihydroxy-2H-1-benzopyran-4(3H)-one

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XPZQBSCTDLGDBP-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C02675

> <HMDB_ID>
HMDB0129957

> <CHEBI_ID>
15712

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
439784

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 588920

> <CITATION>
-

$$$$