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CHEBI:80672 - (S)-Autumnaline

Default Structure
ChEBI IDCHEBI:80672
ChEBI Name(S)-Autumnaline
Stars
DownloadsMolfile
FormulaC21H27NO5
Net Charge0
Average Mass373.449
Monoisotopic Mass373.18892
SMILES[H][C@]1(CCc2cc(O)c(OC)c(OC)c2)c2cc(O)c(OC)cc2CCN1C
InChIInChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyGZUNPCNPOLOTLX-INIZCTEOSA-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)-Autumnaline (CHEBI:80672) is a isoquinoline alkaloid (CHEBI:24921)
Synonym  Source
AutumnalineKEGG COMPOUND
Manual XrefsDatabases
C16707KEGG COMPOUND
Registry NumbersSources
CAS:23068-65-7KEGG COMPOUND