Aspereusin A (CHEBI:215265)

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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	Aspereusin A

ChEBI ID	CHEBI:215265

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O5

Net Charge

Average Mass

230.260

Monoisotopic Mass

230.11542

InChI

InChI=1S/C11H18O5/c1-7-8(6-16-11(7,2)15-4)9(14-3)5-10(12)13/h5,7-8H,6H2,1-4H3,(H,12,13)/b9-5+/t7-,8-,11-/m1/s1

InChIKey

LGJVYTQKCOXZFU-NYYXPOKDSA-N

SMILES

O=C(O)/C=C(/OC)\[C@H]1[C@H]([C@@](OC)(C)OC1)C

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Aspereusin A (CHEBI:215265) is a ketal (CHEBI:59777)

IUPAC Name

(E)-3-methoxy-3-[(3S,4R,5R)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid