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CHEBI:2744 - Annotinine

ChEBI IDCHEBI:2744
ChEBI NameAnnotinine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H21NO3
Net Charge0
Average Mass275.348
Monoisotopic Mass275.15214
SMILES[H]C1(C)C[C@]23N4CCC[C@]2([H])[C@H]2C[C@H](C(=O)O2)[C@]13[C@]1([H])O[C@]1([H])C4
InChIInChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8?,9-,10-,11-,12-,13-,15+,16+/m1/s1
InChIKeyMVITYUVPZPGMRM-RLFDSYHXSA-N
ChEBI Ontology
Outgoing Relation(s)
Annotinine (CHEBI:2744) is a quinolizidines (CHEBI:26516)
Synonym  Source
AnnotinineKEGG COMPOUND
Manual XrefsDatabases
C09855KEGG COMPOUND
C00001933KNApSAcK
Registry NumbersSources
CAS:559-49-9KEGG COMPOUND