LMPK12080020
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.5046    9.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    8.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    8.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    9.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2980    8.2572    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2980    9.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9965    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9965    6.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898    6.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    8.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066    9.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2980    6.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030   10.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   10.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066   10.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4032   10.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898    5.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2365    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2365    6.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6398    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0430    5.6986    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  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 14  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080020

> <COMMON_NAME>
Hispaglabridin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CJUFYKORDZSOLF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OCC(C3C=CC4OC(C)(C)C=CC=4C=3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038103

> <CHEBI_ID>
175116

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318057

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$