LMPK12120307
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.7930   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591   12.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911   12.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2571   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7211    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7211   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5871    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8609    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
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  3 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
  8 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120307

> <COMMON_NAME>
Xanthogalenol

> <SYSTEMATIC_NAME>
3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ALGFNVZQNNGHPA-YRNVUSSQSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-13(2)4-10-16-19(26-3)12-18(24)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+

> <SMILES>
C1C(O)=C(C(/C=C/C2C=CC(O)=CC=2)=O)C(O)=C(C/C=C(/C)\C)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035002

> <CHEBI_ID>
136826

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14309735

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3486

> <CITATION>
-

$$$$