LMPK12050089
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5503   10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5503    9.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678    9.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854    9.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854   10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678   10.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0030    9.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    9.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206   10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0030   10.9428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6383    9.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6383    8.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125    7.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    9.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125    9.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0030    8.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.9428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042    7.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4770    8.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    7.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042    9.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2541    8.9205    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
 12 21  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050089

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-2',4',5'-trimethoxyisoflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IXZYJZHCXHSCDY-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C16188

> <HMDB_ID>
-

> <CHEBI_ID>
80369

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15337591

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$