LMPK12090022
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.5512    8.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512    8.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3697    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1883    8.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1883    8.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3697    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8254    8.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6437    7.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6437    6.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5190    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3941    6.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3941    7.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5190    8.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0094    6.5663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8254    8.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6437    9.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5190    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3915    9.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3915   10.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2623   11.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207   11.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2684    6.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2684    8.0814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1392    7.5786    0.0000 C   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
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  1  0  0  0  0
 17  1  1  0  0  0  0
 11 16  1  0  0  0  0
  8 18  1  0  0  0  0
 18  9  1  0  0  0  0
 18 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090022

> <COMMON_NAME>
Mirificoumestan

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-8-methoxy-7-prenylcoumestan

> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DLPHHYMGBGKBCN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-10(2)4-6-13-17-16(9-14(23)19(13)25-3)26-20-12-7-5-11(22)8-15(12)27-21(24)18(17)20/h4-5,7-9,22-23H,6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13964266

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 861244

> <CITATION>
-

$$$$