LMPK12090029
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.6766    7.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6766    6.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    6.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299    6.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0299    7.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    6.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3832    6.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3832    7.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    7.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0596    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0596    5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5065    5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5065    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    6.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7137    5.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2293    5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0596    7.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    7.5052    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
 14 19  1  0  0  0  0
  9 20  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090029

> <COMMON_NAME>
Repensol3,7,9-Trihydroxycoumestan

> <SYSTEMATIC_NAME>
7,10,12-Trihydroxycoumestan

> <FORMULA>
C15H8O6

> <MASS>
284.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CFUAZBGEKBTCSH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)21-15(19)13-12-9(18)3-7(17)5-11(12)20-14(8)13/h1-5,16-18H

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034138

> <CHEBI_ID>
171700

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257533

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$