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CHEBI:202501 - (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 IDCHEBI:202501
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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19ClO4
Net Charge0
Average Mass298.766
Monoisotopic Mass298.09719
SMILESC[C@H]1[C@@H](O)C=C(Cl)C2=CC(=O)[C@]3(C[C@@]21C)O[C@]3(C)CO
InChIInChI=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
InChIKeyWERSVGPUGLNWBF-FQWSUXQDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies PR19N-1 (ncbitaxon:1327757) - PubMed (23612371)
ChEBI Ontology
Outgoing Relation(s)
(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
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30771121ChemSpider