LMPK12070116
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2408    7.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2408    6.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    6.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137    6.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137    7.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    7.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3001    6.2711    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9865    6.6674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9865    7.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3001    7.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    6.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4066    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1406    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1406    6.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4066    6.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    5.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8738    5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    7.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    8.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134    9.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134    9.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566   10.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2702   10.1827    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  1  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
  8 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>
LMPK12070116

> <COMMON_NAME>
Glyceollidin I

> <SYSTEMATIC_NAME>
3,6a,9-Trihydroxy-4-prenylpterocarpan

> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NLHMQOCIFRDSNU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3

> <SMILES>
C1(O)C=CC2C3OC4=CC(O)=CC=C4C3(O)COC=2C=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034026

> <CHEBI_ID>
174569

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257483

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$