LMPK12140041
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2650    6.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    5.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6863    6.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6863    6.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    7.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2650    6.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    5.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1077    6.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1077    6.9457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3970    7.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8177    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    6.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    7.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    8.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    8.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8177    8.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2658    8.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2658    9.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5558    9.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    9.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0048    8.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    9.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    9.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758   10.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0021   11.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496   11.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 16  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140041

> <COMMON_NAME>
Glabrol

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CUFAXDWQDQQKFF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3

> <SMILES>
C1C(O)=C(C/C=C(\C)/C)C2OC(C3C=C(C/C=C(\C)/C)C(O)=CC=3)CC(=O)C=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029531

> <CHEBI_ID>
175136

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480768

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$