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CHEBI:194500 - (S)-3-O-demethylscoulerine

ChEBI IDCHEBI:194500
ChEBI Name(S)-3-O-demethylscoulerine
Stars
ASCII Name(S)-3-O-demethylscoulerine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H19NO4
Net Charge0
Average Mass313.353
Monoisotopic Mass313.13141
SMILES[H][C@@]12Cc3ccc(OC)c(O)c3CN1CCc1cc(O)c(O)cc12
InChIInChI=1S/C18H19NO4/c1-23-17-3-2-10-6-14-12-8-16(21)15(20)7-11(12)4-5-19(14)9-13(10)18(17)22/h2-3,7-8,14,20-22H,4-6,9H2,1H3/t14-/m0/s1
InChIKeyWDZUKYLSGVBAHN-AWEZNQCLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-3-O-demethylscoulerine (CHEBI:194500) is a berberine alkaloid (CHEBI:22754)
(S)-3-O-demethylscoulerine (CHEBI:194500) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
(S)-3-O-demethylscoulerineUniProt
Citations