LMPK12090025
  LIPID_MAPS_STRUCTURE_DATABASE

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6759    7.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6759    6.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3519    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278    6.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278    7.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3519    7.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797    6.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797    7.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037    7.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554    6.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554    5.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5008    5.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5008    6.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    6.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7108    5.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554    7.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2944    5.1594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7849    5.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2944    6.5096    0.0000 O   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  8  9  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  9 19  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090025

> <COMMON_NAME>
Medicagol

> <SYSTEMATIC_NAME>
3-Hydroxy-8,9-methylenedioxycoumestan

> <FORMULA>
C16H8O6

> <MASS>
296.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-Hydroxy-11,12-methylenedioxycoumestan 

> <INCHI_KEY>
URMVEUAWRUQHON-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2

> <SMILES>
C1(O)C=CC2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033831

> <CHEBI_ID>
166608

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319322

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$