LMPK12050436
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.5441   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5441    9.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1673    9.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1673   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   10.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7903    9.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7903   10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9788   10.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6020    9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6020    8.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    7.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3374    8.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3374    9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    9.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    8.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559    8.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1489    7.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4123    8.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4697    6.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5119    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   11.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192   12.6429    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
  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 22  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050436

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZSTDUKYETPSCHO-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257370

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 997823

> <CITATION>
-

$$$$