CHEBI:10111 - Zierin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Zierin
ChEBI ID CHEBI:10111
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H17NO7
Net Charge 0
Average Mass 311.288
Monoisotopic Mass 311.101
InChI InChI=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
InChIKey KCVXNPDAHDGXFD-YOVYLDAJSA-N
SMILES OC[C@H]1O[C@@H](O[C@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Zierin (CHEBI:10111) is a cyanogenic glycoside (CHEBI:23436)
Synonyms Sources
Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S) KEGG COMPOUND
Zierin KEGG COMPOUND
Manual Xrefs Databases
C00001460 KNApSAcK
C08345 KEGG COMPOUND
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Registry Number Type Source
645-02-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014