LMPK12050334
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5586   10.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5586    9.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848    9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109    9.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2109   10.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848   11.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370    9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8631    9.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8631   10.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370   11.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6893    9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6893    8.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5725    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    8.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    9.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5725    9.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370    8.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848    8.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5725   10.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2819    7.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5679    8.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5725    6.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6335    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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  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
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050334

> <COMMON_NAME>
2'-Hydroxy-5'-methoxybiochanin A

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

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XTQFIPOLABHASM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-13-5-9(11(19)6-14(13)23-2)10-7-24-15-4-8(18)3-12(20)16(15)17(10)21/h3-7,18-20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5492434

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3841

> <CITATION>
-

$$$$