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CHEBI:172590 - Quassinol

ChEBI IDCHEBI:172590
ChEBI NameQuassinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O6
Net Charge0
Average Mass360.406
Monoisotopic Mass360.15729
SMILESCC1=C(O)C2OC3(O)C(=O)CC(C)C4CC5OC(=O)C=C1C5(C)C2C43C
InChIInChI=1S/C20H24O6/c1-8-5-12(21)20(24)19(4)10(8)6-13-18(3)11(7-14(22)25-13)9(2)15(23)16(26-20)17(18)19/h7-8,10,13,16-17,23-24H,5-6H2,1-4H3
InChIKeyWKNPIBKVHHVICI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Quassinol (CHEBI:172590) is a quassinoid (CHEBI:72485)
IUPAC Name 
5,8-dihydroxy-2,9,15,17-tetramethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-8,10-diene-4,12-dione
Manual XrefsDatabases
35014393ChemSpider
HMDB0037235HMDB