LMPK12050329
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5572   10.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572    9.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    9.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2065    9.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2065   10.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818   10.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0308    9.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554    9.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554   10.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0308   10.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6800    9.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6800    8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5617    7.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4434    8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4434    9.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5617    9.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0308    8.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    8.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679    7.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    8.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554    7.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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  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  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050329

> <COMMON_NAME>
2'-Methoxybiochanin A

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2',4'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PBUHDEMRGWYORH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-8,18-19H,1-2H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(OC)=CC=3OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257324

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 224865

> <CITATION>
-

$$$$