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CHEBI:3748 - Clivoline

ChEBI IDCHEBI:3748
ChEBI NameClivoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H27NO7
Net Charge0
Average Mass405.447
Monoisotopic Mass405.17875
SMILESC=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O
InChIInChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1
InChIKeyLIEIOJNANXUNDT-WIOQBUNOSA-N
ChEBI Ontology
Outgoing Relation(s)
Clivoline (CHEBI:3748) is a carboxylic ester (CHEBI:33308)
Clivoline (CHEBI:3748) is a ketone (CHEBI:17087)
Synonym  Source
ClivolineKEGG COMPOUND
Manual XrefsDatabases
C00002082KNApSAcK
C10282KEGG COMPOUND
Registry NumbersSources
CAS:33979-15-6KEGG COMPOUND