LMPK12090037
  LIPID_MAPS_STRUCTURE_DATABASE

 24 28  0     0  0            999 V2000
    6.8679    8.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8679    8.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4823    8.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4823    8.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    9.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2894    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    8.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    8.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2894    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    7.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7668    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6298    6.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6298    7.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7668    8.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979    6.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5774    6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1633    7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5774    7.8634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   10.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9316   11.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  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  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
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090037

> <COMMON_NAME>
Sophoracoumestan B

> <SYSTEMATIC_NAME>
3-Hydroxy-4-methoxy-8,9-methylenedioxycoumestan

> <FORMULA>
C17H10O7

> <MASS>
326.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WFBFYJLFWIJBFD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H10O7/c1-20-16-9(18)3-2-7-14-13(17(19)24-15(7)16)8-4-11-12(22-6-21-11)5-10(8)23-14/h2-5,18H,6H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196333

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11131193

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2891946

> <CITATION>
-

$$$$