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CHEBI:78 - (-)-Apparicine

Default Structure
ChEBI IDCHEBI:78
ChEBI Name(-)-Apparicine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H20N2
Net Charge0
Average Mass264.372
Monoisotopic Mass264.16265
SMILESC=C1c2nc3ccccc3c2C[N@]2CC[C@H]1/C(=C\C)C2
InChIInChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1
InChIKeyLCVACABZTLIWCE-CRAFIKPXSA-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)
(-)-Apparicine (CHEBI:78) is a alkaloid (CHEBI:22315)
Synonym  Source
(-)-ApparicineKEGG COMPOUND
Manual XrefsDatabases
C00001689KNApSAcK
C09036KEGG COMPOUND
Registry NumbersSources
CAS:2122-36-3KEGG COMPOUND