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CHEBI:208142 - Sclerotiorin A

ChEBI IDCHEBI:208142
ChEBI NameSclerotiorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO4
Net Charge0
Average Mass404.934
Monoisotopic Mass404.17544
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@]3(C)O[C@](C)(OC)C[C@@H]3C2=CO1
InChIInChI=1S/C23H29ClO4/c1-7-14(2)10-15(3)8-9-16-11-17-18(13-27-16)19-12-22(4,26-6)28-23(19,5)21(25)20(17)24/h8-11,13-14,19H,7,12H2,1-6H3/t14-,19+,22-,23+/m0/s1
InChIKeyUPDPKZZTBLSIHI-PVJWPDJKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31052279)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiorin A (CHEBI:208142) is a ketal (CHEBI:59777)
IUPAC Name 
(6aR,8S,9aR)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-6a,8-dimethyl-9,9a-dihydrouro[2,3-h]isochromen-6-one