LMPK12050368
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
    7.5460    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5460    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3820    7.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2179    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2179    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3820    9.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0539    7.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8898    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8898    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0539    9.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7258    7.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7258    6.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6196    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5133    6.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5133    7.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6196    8.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6281    9.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6281    7.7932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3820    6.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0539    6.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3494    8.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6196    9.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9209    9.8414    0.0000 C   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050368

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C17H12O7

> <MASS>
328.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OAYKQFMUHNRKTM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O7/c1-21-16-8(3-2-4-10(16)18)9-6-22-11-5-12-17(24-7-23-12)15(20)13(11)14(9)19/h2-6,18,20H,7H2,1H3

> <SMILES>
C12OCOC1=C(O)C1C(=O)C(C3=C(OC)C(O)=CC=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630600

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 151233

> <CITATION>
-

$$$$