9-Chloro-8-hydroxy-8,9-deoxyasperlactone (CHEBI:214681)

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CHEBI:214681 - 9-Chloro-8-hydroxy-8,9-deoxyasperlactone

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ChEBI ID	CHEBI:214681
ChEBI Name	9-Chloro-8-hydroxy-8,9-deoxyasperlactone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H13ClO4
Net Charge	0
Average Mass	220.652
Monoisotopic Mass	220.05024
SMILES	CC(Cl)C(O)C1=C[C@H]([C@H](C)O)OC1=O
InChI	InChI=1S/C9H13ClO4/c1-4(10)8(12)6-3-7(5(2)11)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4?,5-,7+,8?/m0/s1
InChIKey	IOSRNWZRMSMRNA-XVMLKPHDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	9-Chloro-8-hydroxy-8,9-deoxyasperlactone (CHEBI:214681) is a butenolide (CHEBI:50523)

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

Manual Xrefs	Databases
9053968	ChemSpider