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CHEBI:6483 - Linustatin

ChEBI IDCHEBI:6483
ChEBI NameLinustatin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H27NO11
Net Charge0
Average Mass409.388
Monoisotopic Mass409.15841
SMILESCC(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/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
InChIKeyFERSMFQBWVBKQK-CXTTVELOSA-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)
Linustatin (CHEBI:6483) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
LinustatinKEGG COMPOUND
Manual XrefsDatabases
C08333KEGG COMPOUND
C00001447KNApSAcK
Registry NumbersSources
CAS:72229-40-4KEGG COMPOUND