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

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

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ChEBI ID	CHEBI:211373
ChEBI Name	8-Chloro-9-hydroxy-8,9-deoxyasperlactone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H13ClO4
Net Charge	0
Average Mass	220.652
Monoisotopic Mass	220.05024
SMILES	CC(O)C(Cl)C1=C[C@H]([C@H](C)O)OC1=O
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

Species of Metabolite	Component	Source	Comments
Aspergillus ostianus (ncbitaxon:138279)	-	PubMed (14632284)

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
9173771	ChemSpider