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CHEBI:81001 - Glucobarbarin

ChEBI IDCHEBI:81001
ChEBI NameGlucobarbarin
Stars
Last Modified7 March 2024
DownloadsMolfile
FormulaC15H21NO10S2
Net Charge0
Average Mass439.464
Monoisotopic Mass439.06069
SMILESO=S(=O)(O)ON=C(CC(O)c1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/t9?,10-,12-,13+,14-,15+/m1/s1
InChIKeyGAPDDBFHNYHZIS-LNUNAXHXSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Glucobarbarin (CHEBI:81001) is a glucosinolic acid (CHEBI:79316)
Synonym  Source
2(R)-Hydroxy-2-phenylethyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C17274KEGG COMPOUND