LMPK12090030
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.8696    8.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8696    8.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    8.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    8.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    9.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2965    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1055    8.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1055    8.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2965    9.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142    7.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440    7.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792    8.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3050    6.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    9.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792    8.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4530    6.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125    6.8200    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; 3879

> <CITATION>
-

$$$$