LMPK12050391
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.4047    6.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663    5.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7237    6.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5198    7.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7581    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    6.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0772    7.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    8.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1116    8.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541    8.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4305    9.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2448    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8409    9.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227   10.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084   10.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124   10.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8386    7.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6939    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4906   11.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2523   11.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575    5.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5294    0.0000 C   0  0  0  0  0  0  0  0  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
  2 19  1  0  0  0  0
 14 21  1  0  0  0  0
  1 23  1  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
M  END
> <LM_ID>
LMPK12050391

> <COMMON_NAME>
7,4'-Di-O-methyltectorigenin

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

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WPAFRCVVAONVFD-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10830108

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$