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CHEBI:7506 - Neolinustatin

ChEBI IDCHEBI:7506
ChEBI NameNeolinustatin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H29NO11
Net Charge0
Average Mass423.415
Monoisotopic Mass423.17406
SMILESCC[C@](C)(C#N)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1
InChIKeyWOSYVGNDRYBQCQ-BARGLTKPSA-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)
Neolinustatin (CHEBI:7506) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
NeolinustatinKEGG COMPOUND
Manual XrefsDatabases
C08336KEGG COMPOUND
C00001450KNApSAcK
Registry NumbersSources
CAS:72229-42-6KEGG COMPOUND