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CHEBI:146155 - ilicicolin A epoxide(1−)

ChEBI IDCHEBI:146155
ChEBI Nameilicicolin A epoxide(1−)
Stars
ASCII Nameilicicolin A epoxide(1-)
DefinitionI have included the stereoconfiguration seen in fig. 2 of pmid:30952781 even though I cannot find direct evidence for it. I think it is based on compound 10. Please update the structure according to the evidence you trust.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H30ClO4
Net Charge-1
Average Mass405.942
Monoisotopic Mass405.18381
SMILESC/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C23H31ClO4/c1-14(7-6-8-15(2)10-12-19-23(4,5)28-19)9-11-17-21(26)18(13-25)16(3)20(24)22(17)27/h8-9,13,19,26-27H,6-7,10-12H2,1-5H3/p-1/b14-9+,15-8+/t19-/m0/s1
InChIKeyLMVCGMIGVKSDEQ-LHDPSMIPSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
ilicicolin A epoxide(1−) (CHEBI:146155) is a phenolate (CHEBI:50526)
UniProt Name  Source
ilicicolin A epoxideUniProt
Citations