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CHEBI:3413 - Cardiospermin

ChEBI IDCHEBI:3413
ChEBI NameCardiospermin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H17NO7
Net Charge0
Average Mass275.257
Monoisotopic Mass275.10050
SMILESC=C(CO)[C@@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h6-11,13-17H,1,3-4H2/t6-,7-,8-,9+,10-,11-/m1/s1
InChIKeyMQTLCYHUTVTHFO-MPVQUNCYSA-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)
Cardiospermin (CHEBI:3413) is a cyanogenic glycoside (CHEBI:23436)
Synonym  Source
CardiosperminKEGG COMPOUND
Manual XrefsDatabases
C08328KEGG COMPOUND
C00001440KNApSAcK
Registry NumbersSources
CAS:54525-10-9KEGG COMPOUND