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CHEBI:208138 - Antroquinonol Q

ChEBI IDCHEBI:208138
ChEBI NameAntroquinonol Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILESCOC1=C(OC)[C@H](OC(C)=O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](C)C1=O
InChIInChI=1S/C26H40O7/c1-16(9-8-10-17(2)13-21(29)14-18(3)15-27)11-12-22-19(4)23(30)25(31-6)26(32-7)24(22)33-20(5)28/h10-11,14,19,21-22,24,27,29H,8-9,12-13,15H2,1-7H3/t19-,21+,22-,24-/m1/s1
InChIKeyMQJJTTDUYLCOJW-NQRVTCLYSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - PubMed (28898082)
ChEBI Ontology
Outgoing Relation(s)
Antroquinonol Q (CHEBI:208138) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,5R,6R)-6-[(9S)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methyl-4-oxocyclohex-2-en-1-yl] acetate
Manual XrefsDatabases
78441661ChemSpider