Aspilactonol A (CHEBI:217010)

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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	Aspilactonol A

ChEBI ID	CHEBI:217010

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H14O3

Net Charge

Average Mass

170.208

Monoisotopic Mass

170.09429

InChI

InChI=1S/C9H14O3/c1-6(10)3-4-8-5-7(2)12-9(8)11/h5-7,10H,3-4H2,1-2H3/t6-,7-/m0/s1

InChIKey

MOBABDZHHJLIFI-BQBZGAKWSA-N

SMILES

O=C1O[C@@H](C)C=C1CC[C@@H](O)C

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

ChEBI Ontology
Outgoing	Aspilactonol A (CHEBI:217010) is a butenolide (CHEBI:50523)

IUPAC Name

(2S)-4-[(3S)-3-hydroxybutyl]-2-methyl-2H-uran-5-one