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CHEBI:6595 - Lyconnotine

ChEBI IDCHEBI:6595
ChEBI NameLyconnotine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H25NO3
Net Charge0
Average Mass291.391
Monoisotopic Mass291.18344
SMILES[H]C(C)(C[C@@]12C3=CC[C@@H](O)[C@@]1([H])CCCN2CC=C3)C(=O)OC
InChIInChI=1S/C17H25NO3/c1-12(16(20)21-2)11-17-13-5-3-9-18(17)10-4-6-14(17)15(19)8-7-13/h3,5,7,12,14-15,19H,4,6,8-11H2,1-2H3/t12?,14-,15-,17-/m1/s1
InChIKeyYHPKLMGYAYSJRU-UYPCIZBGSA-N
ChEBI Ontology
Outgoing Relation(s)
Lyconnotine (CHEBI:6595) is a citraconoyl group (CHEBI:23315)
Synonym  Source
LyconnotineKEGG COMPOUND
Manual XrefsDatabases
C09881KEGG COMPOUND
C00001947KNApSAcK
C00028509KNApSAcK
Registry NumbersSources
CAS:6900-93-2KEGG COMPOUND