CHEBI:10111 - Zierin

ChEBI IDCHEBI:10111
ChEBI NameZierin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H17NO7
Net Charge0
Average Mass311.290
Monoisotopic Mass311.10050
SMILESN#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1
InChIInChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKeyKCVXNPDAHDGXFD-YOVYLDAJSA-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)
Zierin (CHEBI:10111) is a cyanogenic glycoside (CHEBI:23436)
Synonyms  Source
ZierinKEGG COMPOUND
Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)KEGG COMPOUND
Manual XrefsDatabases
C08345KEGG COMPOUND
C00001460KNApSAcK
Registry NumbersSources
CAS:645-02-3KEGG COMPOUND