LMPK12120299
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.5948    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5948    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4571    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3194    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3194    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4571    9.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9063    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9063    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7686    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6307    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4931    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4931    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6307    9.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7686    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6307    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9063    9.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3554    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2177    7.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2177    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3554    9.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5580    9.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1980    8.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1890    6.9933    0.0000 O   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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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 12  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 15  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120299

> <COMMON_NAME>
Dehydrocycloxanthohumol hydrate

> <SYSTEMATIC_NAME>
6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Xanthohumol B

> <INCHI_KEY>
GUQGMEWOCKDLDE-RMKNXTFCSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+

> <SMILES>
C1(O)C=CC(/C=C/C(C2C(OC)=CC3OC(C)(C)C(O)CC=3C=2O)=O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034867

> <CHEBI_ID>
66334

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9799506

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3486

> <CITATION>
-

$$$$