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CHEBI:4777 - Elymoclavine

ChEBI IDCHEBI:4777
ChEBI NameElymoclavine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H18N2O
Net Charge0
Average Mass254.333
Monoisotopic Mass254.14191
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C=C(CO)CN2C
InChIInChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1
InChIKeyDAVNRFCJMIONPO-UKRRQHHQSA-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)
Elymoclavine (CHEBI:4777) is a alkaloid (CHEBI:22315)
Synonyms  Source
DihydrolysergolKEGG COMPOUND
ElymoclavineKEGG COMPOUND
Manual XrefsDatabases
C00001717KNApSAcK
C06068KEGG COMPOUND
Registry NumbersSources
CAS:548-43-6KEGG COMPOUND