Apersitin (CHEBI:216033)

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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	Apersitin

ChEBI ID	CHEBI:216033

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H21NO4

Net Charge

Average Mass

267.325

Monoisotopic Mass

267.14706

InChI

InChI=1S/C14H21NO4/c1-6-7(2)10(16)9-11(19-5)8(3)13(17)14(4,18)12(9)15/h7,18H,6,15H2,1-5H3/t7-,14+/m0/s1

InChIKey

UYJPMNCMOPWWNM-JKYUHCHBSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	Apersitin (CHEBI:216033) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name

(6R)-5-amino-6-hydroxy-3-methoxy-2,6-dimethyl-4-[(2S)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one