LMPK12090039
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.8829    9.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8829    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    7.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5273    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5273    9.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    9.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    7.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1717    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1717    9.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    9.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9935    7.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9935    6.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7517    6.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7517    7.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    8.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7051    6.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9935    9.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520    6.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6299    6.0612    0.0000 O   0  0  0  0  0  0  0  0  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  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  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
  3 17  1  0  0  0  0
  9 18  2  0  0  0  0
  7 19  1  0  0  0  0
 20  1  1  0  0  0  0
 12 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090039

> <COMMON_NAME>
Aureol

> <SYSTEMATIC_NAME>
1,3,9-Trihydroxycoumestan

> <FORMULA>
C15H8O6

> <MASS>
284.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WIRRQLQRDSREEG-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC(=O)C3C4C=CC(O)=CC=4OC=3C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037921

> <CHEBI_ID>
169763

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3916

> <CITATION>
-

$$$$