LMPK12050430
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2223    7.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2223    6.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5580    6.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5580    7.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2259    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8938    6.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8938    7.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2259    7.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5616    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5616    5.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2757    5.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9899    5.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9899    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2757    6.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2259    5.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6578    5.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6975    5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901    5.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7478    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901    8.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    9.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 21  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050430

> <COMMON_NAME>
Iso-5-methoxyafrormosin

> <SYSTEMATIC_NAME>
7-Hydroxy-5,8,4'-trimethoxyisoflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SPFCWKMWALEWEG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-18-15(16(12)20)14(22-2)8-13(19)17(18)23-3/h4-9,19H,1-3H3

> <SMILES>
C1(O)=C(OC)C2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10687702

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$