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CHEBI:208157 - Sclerotiorin C

ChEBI IDCHEBI:208157
ChEBI NameSclerotiorin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O4
Net Charge0
Average Mass370.489
Monoisotopic Mass370.21441
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=CC(=O)[C@]3(C)O[C@@](C)(OC)C[C@@H]3C2=CO1
InChIInChI=1S/C23H30O4/c1-7-15(2)10-16(3)8-9-18-11-17-12-21(24)23(5)20(19(17)14-26-18)13-22(4,25-6)27-23/h8-12,14-15,20H,7,13H2,1-6H3/t15-,20+,22+,23+/m0/s1
InChIKeyKRMNXAJBNOFESN-APQCTARYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31052279)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiorin C (CHEBI:208157) is a ketal (CHEBI:59777)
IUPAC Name 
(6aR,8R,9aR)-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-6a,8-dimethyl-9,9a-dihydrouro[2,3-h]isochromen-6-one