LMPK12050365
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5659    9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    8.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    7.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2324    8.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2324    9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    9.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    7.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    8.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    9.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    7.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7321    6.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230    6.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5139    6.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5139    7.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230    8.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    6.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    6.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230    9.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6932    9.8279    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
  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 22  1  0  0  0  0
  2 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050365

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6,2'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AELVNGRVQZQCDD-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491794

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 93026

> <CITATION>
-

$$$$