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CHEBI:208128 - Antroquinonol O

ChEBI IDCHEBI:208128
ChEBI NameAntroquinonol O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILESCOC1=C[C@H](O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](C)C1=O
InChIInChI=1S/C23H36O5/c1-15(7-6-8-16(2)11-19(25)12-17(3)14-24)9-10-20-18(4)23(27)22(28-5)13-21(20)26/h8-9,12-13,18-21,24-26H,6-7,10-11,14H2,1-5H3/t18-,19+,20-,21+/m1/s1
InChIKeyBISKIPFYEROROF-MHTWAQMVSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - PubMed (28898082)
ChEBI Ontology
Outgoing Relation(s)
Antroquinonol O (CHEBI:208128) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5R,6R)-5-[(9S)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-hydroxy-2-methoxy-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
78441659ChemSpider