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CHEBI:226499 - (8S,8a-R)-7-Deacetyl-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin

ChEBI IDCHEBI:226499
ChEBI Name(8S,8a-R)-7-Deacetyl-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25ClO4
Net Charge0
Average Mass352.858
Monoisotopic Mass352.14414
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C19H25ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-9,11,15,17,21,23H,5,10H2,1-4H3/b7-6+,12-8+/t11-,15+,17-,19-/m0/s1
InChIKeyGJRRBURMULHWIH-XXAKLLPISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (7592055)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(8S,8a-R)-7-Deacetyl-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin (CHEBI:226499) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S,8S,8aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
9007172ChemSpider