Sequoiatone C (CHEBI:219036)

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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	Sequoiatone C

ChEBI ID	CHEBI:219036

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H30O5

Net Charge

Average Mass

374.477

Monoisotopic Mass

374.20932

InChI

InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1

InChIKey

DYUPDLYFDGWNBP-TVXHFNGESA-N

SMILES

O=C(OC)C/1=C2C(=C(OC=C2)C)[C@@](\C1=C\C(=O)[C@H](CCCCCC)C)(O)C

Metabolite of Species	Details
Aspergillus parasiticus (NCBI:txid5067)	See: PubMed

ChEBI Ontology
Outgoing	Sequoiatone C (CHEBI:219036) is a pyrans (CHEBI:26407)

IUPAC Name

methyl (6E,7R)-7-hydroxy-1,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate