LMPK12050388
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.8733    7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733    6.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536    6.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2339    6.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2339    7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    6.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945    6.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945    7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    7.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    6.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    5.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0022    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7296    5.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7296    6.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0022    6.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    5.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536    5.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4099    5.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2508    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
  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
 14 19  1  0  0  0  0
  2 22  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050388

> <COMMON_NAME>
7-O-Methyltectorigenin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-6,7-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JDKYUORVNMYEIK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70033

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5487785

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$