LMPK12090010
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5609    9.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5609    8.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891    7.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    8.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    9.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891    9.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0456    7.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8738    8.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8738    9.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0456    9.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7017    7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7017    6.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5872    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4727    6.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4727    7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5872    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7017    9.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0481    6.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891   10.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5612   10.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5612   11.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7333   12.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891   12.3749    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
  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
 19  1  1  0  0  0  0
 12 18  1  0  0  0  0
 14 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090010

> <COMMON_NAME>
Phaseol

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-4-prenylcoumestan

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FRXPSBUCIWPZMH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-18(12)25-20(23)17-13-6-4-11(21)9-16(13)24-19(14)17/h3-4,6-9,21-22H,5H2,1-2H3

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC(=O)C3C4C=CC(O)=CC=4OC=3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037922

> <CHEBI_ID>
175277

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257530

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3916

> <CITATION>
-

$$$$