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CHEBI:8423 - Proacacipetalin

ChEBI IDCHEBI:8423
ChEBI NameProacacipetalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H17NO6
Net Charge0
Average Mass259.258
Monoisotopic Mass259.10559
SMILESC=C(C)[C@@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1
InChIKeyKVHIMSJVFJPBKJ-MPVQUNCYSA-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)
Proacacipetalin (CHEBI:8423) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
ProacacipetalinKEGG COMPOUND
Manual XrefsDatabases
C08338KEGG COMPOUND
C00001452KNApSAcK
Registry NumbersSources
CAS:66871-89-4KEGG COMPOUND