LMPK12070116
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5646    9.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5646    8.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2288    8.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2288    9.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    9.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0608    7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8928    8.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8928    9.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0608    9.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7245    7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7245    6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6141    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038    6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038    7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6141    8.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0696    6.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3925    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7245    8.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968   10.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2284   10.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2284   11.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4323   12.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245   12.3427    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; 3847

> <CITATION>
-

$$$$