LMPK12090026
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.8825    9.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8825    8.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043    7.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    8.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    9.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043    9.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    7.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    8.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    9.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    9.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917    7.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917    6.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8705    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7493    6.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7493    7.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8705    8.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3567    6.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917    9.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271    8.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4490    7.6150    0.0000 C   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
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090026

> <COMMON_NAME>
8-Methoxycoumestrol

> <SYSTEMATIC_NAME>
7,12-Dihydroxy-11-methoxycoumestan

> <FORMULA>
C16H10O6

> <MASS>
298.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3'-Methoxycoumestrol

> <INCHI_KEY>
MQORJFLPGOCLDS-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030562

> <CHEBI_ID>
174832

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44151023

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3879

> <CITATION>
-

$$$$