8-Chloro-9-hydroxy-8,9-deoxyasperlactone (CHEBI:211373)

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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	8-Chloro-9-hydroxy-8,9-deoxyasperlactone

ChEBI ID	CHEBI:211373

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

Submitter	MetaboLights

Supplier Information

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Formula

C9H13ClO4

Net Charge

Average Mass

220.650

Monoisotopic Mass

220.05024

InChI

InChI=1S/C9H13ClO4/c1-4(11)7-3-6(9(13)14-7)8(10)5(2)12/h3-5,7-8,11-12H,1-2H3/t4-,5?,7+,8?/m0/s1

InChIKey

DTTXMEFLUMXFTB-JJAFMLPCSA-N

SMILES

ClC(C=1C(=O)O[C@H](C1)[C@@H](O)C)C(O)C

Metabolite of Species	Details
Aspergillus ostianus (NCBI:txid138279)	See: PubMed

ChEBI Ontology
Outgoing	8-Chloro-9-hydroxy-8,9-deoxyasperlactone (CHEBI:211373) is a butenolide (CHEBI:50523)

IUPAC Name

(2R)-4-(1-chloro-2-hydroxypropyl)-2-[(1S)-1-hydroxyethyl]-2H-uran-5-one