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CHEBI:171798 - Isoxanthohumol

ChEBI IDCHEBI:171798
ChEBI NameIsoxanthohumol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cc(O)c(CC=C(C)C)c2c1C(=O)CC(c1ccc(O)cc1)O2
InChIInChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKeyYKGCBLWILMDSAV-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)
Isoxanthohumol (CHEBI:171798) is a flavanones (CHEBI:28863)
IUPAC Name 
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
447736ChemSpider
HMDB0034048HMDB
LMPK12140553LIPID MAPS