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CHEBI:2626 - Ambelline

ChEBI IDCHEBI:2626
ChEBI NameAmbelline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO5
Net Charge0
Average Mass331.368
Monoisotopic Mass331.14197
SMILES[H][C@@]12C[C@@H](OC)C=C[C@@]13c1cc4c(c(OC)c1C[N@]2C[C@@H]3O)OCO4
InChIInChI=1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14+,15-,18+/m0/s1
InChIKeyQAHZAHIPKNLGAS-KZRPXEQKSA-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)
Ambelline (CHEBI:2626) is a alkaloid (CHEBI:22315)
Synonyms  Source
(3alpha,11S)-1,2-Didehydro-3,7-dimethoxycrinan-11-olKEGG COMPOUND
AmbellineKEGG COMPOUND
Manual XrefsDatabases
C00001561KNApSAcK
C08517KEGG COMPOUND
Registry NumbersSources
CAS:3660-62-6KEGG COMPOUND