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CHEBI:8422 - Proacaciberin

ChEBI IDCHEBI:8422
ChEBI NameProacaciberin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H25NO10
Net Charge0
Average Mass391.373
Monoisotopic Mass391.14785
SMILESC=C(C)[C@@H](C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
InChIKeyBHUCUDQLYLLDIA-ZHFVSHRQSA-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)
Proacaciberin (CHEBI:8422) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
ProacaciberinKEGG COMPOUND
Manual XrefsDatabases
C08337KEGG COMPOUND
C00001451KNApSAcK
Registry NumbersSources
CAS:79197-21-0KEGG COMPOUND