LMPK12050356
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.1191    9.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1191    8.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7683    8.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7683    9.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    9.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5929    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    8.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    9.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5929    9.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1238    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0055    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0055    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1238    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5929    6.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8299    6.0934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    6.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8299    8.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8891    7.4521    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
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050356

> <COMMON_NAME>
7,3'-Dimethylorobol

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-7,3'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMQZMHHAWZDJOJ-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033989

> <CHEBI_ID>
175017

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845970

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 230214

> <CITATION>
-

$$$$