EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171727 - Kanzonol J

ChEBI IDCHEBI:171727
ChEBI NameKanzonol J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O5
Net Charge0
Average Mass422.521
Monoisotopic Mass422.20932
SMILESCOc1c2c(cc3c1CCC(C)(C)O3)OCC(c1ccc(O)c3c1OC(C)(C)C=C3)C2
InChIInChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3
InChIKeyPOHNDGZXXXCXFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Kanzonol J (CHEBI:171727) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
8-(5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol
Manual XrefsDatabases
35014967ChemSpider
HMDB0040605HMDB