LMPK12050407
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    8.1403    9.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7245    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7245    9.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324   10.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086    9.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   10.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1554    8.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1554    7.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0023    7.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    7.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    8.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0023    9.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    7.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2057    6.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5760    6.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    7.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993    6.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936   10.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936   11.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    8.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2981    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
 25 26  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
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  3 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050407

> <COMMON_NAME>
Odoratine

> <SYSTEMATIC_NAME>
5,6,7-Trimethoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C19H16O7

> <MASS>
356.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FXRYTZLSNFFEHZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O7/c1-21-15-7-14-16(19(23-3)18(15)22-2)17(20)11(8-24-14)10-4-5-12-13(6-10)26-9-25-12/h4-8H,9H2,1-3H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21723648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53873

> <CITATION>
-

$$$$