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CHEBI:2743 - Annotine

ChEBI IDCHEBI:2743
ChEBI NameAnnotine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H21NO3
Net Charge0
Average Mass275.348
Monoisotopic Mass275.15214
SMILES[H][C@@]12CCCN3CC=C[C@]4(O)[C@@H]5C[C@H]1OC(=O)C5(C)C[C@@]342
InChIInChI=1S/C16H21NO3/c1-14-9-15-10-4-2-6-17(15)7-3-5-16(15,19)12(14)8-11(10)20-13(14)18/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11-,12-,14?,15+,16+/m1/s1
InChIKeyAAZRLGLWPJJDGC-KPYWPBPJSA-N
ChEBI Ontology
Outgoing Relation(s)
Annotine (CHEBI:2743) is a azaspiro compound (CHEBI:35624)
Synonym  Source
AnnotineKEGG COMPOUND
Manual XrefsDatabases
C09852KEGG COMPOUND
C00001932KNApSAcK
Registry NumbersSources
CAS:5096-59-3KEGG COMPOUND