LMPK12050362
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.2248    8.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2248    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9142    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6036    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6036    8.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9142    9.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    8.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929    9.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4087    6.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458    6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458    7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4087    7.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929    6.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    8.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    7.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9142    6.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7996    6.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    6.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    5.2475    0.0000 C   0  0  0  0  0  0  0  0  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 12 23  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050362

> <COMMON_NAME>
Tlatlancuayin

> <SYSTEMATIC_NAME>
5,2-Dimethoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C18H14O6

> <MASS>
326.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WJYNIPMSQPXGGO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O6/c1-20-12-6-4-3-5-10(12)11-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(11)19/h3-8H,9H2,1-2H3

> <SMILES>
C12OCOC1=C(OC)C1C(=O)C(C3C=CC=CC=3OC)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196329

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12444409

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$