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CHEBI:215731 - (8S,8a-R)-7-Deacetyl-5-dechloro-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin

ChEBI IDCHEBI:215731
ChEBI Name(8S,8a-R)-7-Deacetyl-5-dechloro-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C19H26O4/c1-5-12(2)8-13(3)6-7-15-9-14-10-17(20)19(4,22)18(21)16(14)11-23-15/h6-10,12,16,18,21-22H,5,11H2,1-4H3/b7-6+,13-8+/t12-,16+,18-,19+/m0/s1
InChIKeyCDNUINONZTWWCE-ODWUICSLSA-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-5-dechloro-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin (CHEBI:215731) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S,8S,8aS)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
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8886019ChemSpider