EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:4373 - Deidaclin

ChEBI IDCHEBI:4373
ChEBI NameDeidaclin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H17NO6
Net Charge0
Average Mass271.269
Monoisotopic Mass271.10559
SMILESN#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CCC1
InChIInChI=1S/C12H17NO6/c13-6-12(3-1-2-4-12)19-11-10(17)9(16)8(15)7(5-14)18-11/h1,3,7-11,14-17H,2,4-5H2/t7-,8-,9+,10-,11+,12+/m1/s1
InChIKeyHBCFZAXOSTUEHA-ZSOJELSESA-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)
Deidaclin (CHEBI:4373) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
DeidaclinKEGG COMPOUND
Manual XrefsDatabases
C08329KEGG COMPOUND
C00001441KNApSAcK
Registry NumbersSources
CAS:88824-26-4KEGG COMPOUND