Huaspenone C (CHEBI:207775)

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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	Huaspenone C

ChEBI ID	CHEBI:207775

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H17NO4

Net Charge

Average Mass

251.282

Monoisotopic Mass

251.11576

InChI

InChI=1S/C13H17NO4/c1-4-5-6-7-8-13(2)10(15)9(11(14)18-13)12(16)17-3/h5-8H,4,14H2,1-3H3/b6-5+,8-7+/t13-/m0/s1

InChIKey

JLEHXZOLGYXLOH-IYKPNBQOSA-N

SMILES

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

Metabolite of Species	Details
Didymella (NCBI:txid55170)	See: DOI

ChEBI Ontology
Outgoing	Huaspenone C (CHEBI:207775) is a oxolanes (CHEBI:26912)

IUPAC Name

methyl (5S)-2-amino-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxouran-3-carboxylate