LMPK12090030
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.6674    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674    6.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0022    6.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0022    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348    7.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6696    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370    6.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6696    7.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    6.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    5.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4313    5.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4313    6.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178    6.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766    5.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0044    7.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7178    7.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0987    5.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    5.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090030

> <COMMON_NAME>
Trifoliol

> <SYSTEMATIC_NAME>
3,7-Dihydroxy-9-methoxycoumestan

> <FORMULA>
C16H10O6

> <MASS>
298.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7,10-Dihydroxy-12-methoxycoumestan 

> <INCHI_KEY>
YFVNQUXNYCREJW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O6/c1-20-8-5-10(18)13-12(6-8)21-15-9-3-2-7(17)4-11(9)22-16(19)14(13)15/h2-6,17-18H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034139

> <CHEBI_ID>
174836

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5487671

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$