Aculeatusquinone C (CHEBI:198889)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Aculeatusquinone C

ChEBI ID	CHEBI:198889

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C17H22O6

Net Charge

Average Mass

322.357

Monoisotopic Mass

322.14164

InChI

InChI=1S/C17H22O6/c1-8-6-11(18)9(2)12(7-8)23-16-14(20)10(3)13(19)15(21)17(16,4)22-5/h6-7,15-16,18-19,21H,1-5H3/t15-,16+,17+/m0/s1

InChIKey

VLBYFJQRLHIMDC-GVDBMIGSSA-N

SMILES

O=C1C(=C(O)[C@H](O)[C@]([C@@H]1OC2=C(C(O)=CC(=C2)C)C)(OC)C)C

Metabolite of Species	Details
Aspergillus aculeatus (NCBI:txid5053)	See: DOI

ChEBI Ontology
Outgoing	Aculeatusquinone C (CHEBI:198889) is a phenols (CHEBI:33853) Aculeatusquinone C (CHEBI:198889) is a xylene (CHEBI:27338)

IUPAC Name

(4S,5R,6S)-3,4-dihydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one