LMPK12050392
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    8.1103    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103    8.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9121    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    8.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9121    9.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5155    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3172    8.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3172    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5155    9.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1189    8.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1189    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9761    6.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8333    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8333    8.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9761    8.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5155    7.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3086    9.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9121    7.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3086    8.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6350    6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    7.2749    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
  3 19  1  0  0  0  0
  2 21  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050392

> <COMMON_NAME>
5-Methoxyafrormosin

> <SYSTEMATIC_NAME>
7-Hydroxy-5,6,4'-trimethoxyisoflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CHDLFAIVPUPGAT-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10782482

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2816372

> <CITATION>
-

$$$$