LMPK12090028
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.8634    8.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8634    8.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6662    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    8.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    8.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6662    9.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2719    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    8.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    8.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2719    9.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    7.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    6.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5940    6.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5940    7.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2803    6.5565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8775    9.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3968    6.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6467    6.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3968    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4277    7.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090028

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Hydroxy-8,9-dimethoxycoumestan

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PKLPURDVDNBFCI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030561

> <CHEBI_ID>
174243

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5748556

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3879

> <CITATION>
-

$$$$