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CHEBI:198697 - 1-chloro-3beta-acetoxy-7-hydroxytrinoreremophil-1,6,9-trien-8-one

ChEBI IDCHEBI:198697
ChEBI Name1-chloro-3beta-acetoxy-7-hydroxytrinoreremophil-1,6,9-trien-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15ClO4
Net Charge0
Average Mass282.723
Monoisotopic Mass282.06589
SMILESCC(=O)O[C@H]1C=C(Cl)C2=CC(=O)C(O)=C[C@]2(C)[C@H]1C
InChIInChI=1S/C14H15ClO4/c1-7-13(19-8(2)16)5-10(15)9-4-11(17)12(18)6-14(7,9)3/h4-7,13,18H,1-3H3/t7-,13-,14+/m0/s1
InChIKeyYUKAUHOELSDQDF-HNWMMTHTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies PR19N-1 (ncbitaxon:1327757) - PubMed (23612371)
ChEBI Ontology
Outgoing Relation(s)
1-chloro-3beta-acetoxy-7-hydroxytrinoreremophil-1,6,9-trien-8-one (CHEBI:198697) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,2R,8aS)-4-chloro-7-hydroxy-1,8a-dimethyl-6-oxo-1,2-dihydronaphthalen-2-yl] acetate
Manual XrefsDatabases
30771120ChemSpider