Antroquinonol S (CHEBI:208147)

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CHEBI:208147 - Antroquinonol S

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ChEBI ID	CHEBI:208147
ChEBI Name	Antroquinonol S
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H34O5
Net Charge	0
Average Mass	390.520
Monoisotopic Mass	390.24062
SMILES	COC1=C[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@H](C)C1=O
InChI	InChI=1S/C23H34O5/c1-14(7-6-8-15(2)11-18-12-16(3)23(26)28-18)9-10-19-17(4)22(25)21(27-5)13-20(19)24/h8-9,13,16-20,24H,6-7,10-12H2,1-5H3/b14-9+,15-8+/t16-,17-,18-,19-,20+/m1/s1
InChIKey	FHZXTBYGLVPEAT-VAXJKGLHSA-N

Species of Metabolite	Component	Source	Comments
Antrodia cinnamomea (ncbitaxon:279009)	-	PubMed (28898082)

ChEBI Ontology

Outgoing Relation(s)
	Antroquinonol S (CHEBI:208147) is a terpene lactone (CHEBI:37668)

IUPAC Name
(3R,5S)-5-[(2E,6E)-8-[(1R,2R,6R)-2-hydroxy-4-methoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-2,6-dimethylocta-2,6-dienyl]-3-methyloxolan-2-one

Manual Xrefs	Databases
78441663	ChemSpider