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CHEBI:208159 - Antroquinonol W

Default Structure
ChEBI IDCHEBI:208159
ChEBI NameAntroquinonol W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILESCOC1=C(OC)[C@H](O)[C@H](CC=C(C)CCC=C(C)CCCC(C)CO)[C@@H](C)C1=O
InChIInChI=1S/C24H40O5/c1-16(10-8-12-18(3)15-25)9-7-11-17(2)13-14-20-19(4)21(26)23(28-5)24(29-6)22(20)27/h9,13,18-20,22,25,27H,7-8,10-12,14-15H2,1-6H3/t18?,19-,20-,22-/m1/s1
InChIKeyZUKZELAIKKOIBV-SRNQMFCMSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - PubMed (28898082)
ChEBI Ontology
Outgoing Relation(s)
Antroquinonol W (CHEBI:208159) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5R,6R)-4-hydroxy-5-(12-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
78441665ChemSpider