CHEBI:9717 - Triglochinin

ChEBI IDCHEBI:9717
ChEBI NameTriglochinin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H17NO10
Net Charge0
Average Mass359.287
Monoisotopic Mass359.08525
SMILESN#C/C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(\C=C/C(=O)O)CC(=O)O
InChIInChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1
InChIKeyLABCALMTQNDOAI-PKNBYVPASA-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)
Triglochinin (CHEBI:9717) is a cyanogenic glycoside (CHEBI:23436)
Synonyms  Source
TriglochininKEGG COMPOUND
2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)-KEGG COMPOUND
Manual XrefsDatabases
C08342KEGG COMPOUND
C00001457KNApSAcK
Registry NumbersSources
CAS:28876-11-1KEGG COMPOUND