LMPK12050426
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.0986    8.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0986    8.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024    7.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    8.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    8.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024    9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    7.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142    8.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142    8.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    9.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    6.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8373    6.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8373    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    8.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    6.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6414    8.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024    6.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024   10.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1541   11.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    8.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2294    9.6965    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
 24 25  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
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 22  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050426

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HTEIWRHFLLWBPH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-13-7-12(20)14-15(21)10(8-25-18(14)17(13)24-3)9-5-4-6-11(19)16(9)23-2/h4-8,19-20H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630599

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 151233

> <CITATION>
-

$$$$