(3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one (CHEBI:202501)

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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	(3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one

ChEBI ID	CHEBI:202501

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H19ClO4

Net Charge

Average Mass

298.760

Monoisotopic Mass

298.09719

InChI

InChI=1S/C15H19ClO4/c1-8-11(18)5-10(16)9-4-12(19)15(6-13(8,9)2)14(3,7-17)20-15/h4-5,8,11,17-18H,6-7H2,1-3H3/t8-,11-,13+,14+,15-/m0/s1

InChIKey

WERSVGPUGLNWBF-FQWSUXQDSA-N

SMILES

ClC=1C2=CC(=O)[C@@]3(O[C@@]3(CO)C)C[C@@]2([C@@H](C)[C@H](C1)O)C

Metabolite of Species	Details
Penicilliumspecies PR19N-1 (NCBI:txid1327757)	See: PubMed

ChEBI Ontology
Outgoing	(3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one (CHEBI:202501) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(3R,3'R,4aR,5R,6R)-8-chloro-6-hydroxy-3'-(hydroxymethyl)-3',4a,5-trimethylspiro[5,6-dihydro-4H-naphthalene-3,2'-oxirane]-2-one