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CHEBI:210580 - Sclerketide C

ChEBI IDCHEBI:210580
ChEBI NameSclerketide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32ClNO6
Net Charge0
Average Mass489.996
Monoisotopic Mass489.19182
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)OC
InChIInChI=1S/C26H32ClNO6/c1-7-16(2)13-17(3)10-11-19-14-20-21(15-28(19)12-8-9-22(30)33-6)24(31)26(5,34-18(4)29)25(32)23(20)27/h10-11,13-16H,7-9,12H2,1-6H3/b11-10+,17-13+/t16-,26+/m0/s1
InChIKeyXWWNMYFZBOZWKF-ZGLDCBQPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31077912)
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)
Sclerketide C (CHEBI:210580) is a azaphilone (CHEBI:50941)
IUPAC Name 
methyl 4-[(7R)-7-acetyloxy-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoate
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74122705ChemSpider