LMPK12050141
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5422   10.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5422    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3517    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1613    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1613   10.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3517   10.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9709    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7805    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7805   10.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9709   10.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5900    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5900    8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4556    7.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3213    8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3213    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4556    9.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9709    8.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4556    6.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4955    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1309    7.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3911    8.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3517   11.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6120   12.6271    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
 13 19  1  0  0  0  0
 14 21  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050141

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-8,3',4'-trimethoxyisoflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VYUBGGKHELMRLL-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257263

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53932

> <CITATION>
-

$$$$