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CHEBI:210573 - Sclerketide B

ChEBI IDCHEBI:210573
ChEBI NameSclerketide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25ClO5
Net Charge0
Average Mass404.890
Monoisotopic Mass404.13905
SMILESCCC(=O)O[C@]1(C)C(=O)C2=COC(/C=C/C(C)=C/[C@@H](C)CC)=CC2=C(Cl)C1=O
InChIInChI=1S/C22H25ClO5/c1-6-13(3)10-14(4)8-9-15-11-16-17(12-27-15)20(25)22(5,21(26)19(16)23)28-18(24)7-2/h8-13H,6-7H2,1-5H3/b9-8+,14-10+/t13-,22+/m0/s1
InChIKeySIDPHILSGJLHOQ-UDBHBCNGSA-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 B (CHEBI:210573) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] propanoate
Manual XrefsDatabases
78315760ChemSpider