LMPK12120536
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.2707    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707    6.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    6.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    6.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    7.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    6.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1357    6.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1357    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8519    7.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5682    7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    7.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5682    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8519    8.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    5.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4194    7.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0007    8.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    5.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    8.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    9.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   10.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263   10.3062    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
  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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
 13 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120536

> <COMMON_NAME>
alpha,beta-Dihydroxanthohumol

> <SYSTEMATIC_NAME>
4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone

> <FORMULA>
C21H24O5

> <MASS>
356.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SVTCZHIDEDUTBH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3

> <SMILES>
C1(O)C(C/C=C(/C)\C)=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035440

> <CHEBI_ID>
66332

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10450920

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$