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

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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 1-chloro-3beta-acetoxy-7-hydroxytrinoreremophil-1,6,9-trien-8-one
ChEBI ID CHEBI:198697
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H15ClO4
Net Charge 0
Average Mass 282.720
Monoisotopic Mass 282.06589
InChI InChI=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
InChIKey YUKAUHOELSDQDF-HNWMMTHTSA-N
SMILES ClC=1C2=CC(=O)C(O)=C[C@@]2([C@@H](C)[C@H](C1)OC(=O)C)C
Metabolite of Species Details
Penicilliumspecies PR19N-1 (NCBI:txid1327757) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
30771120 ChemSpider
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