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CHEBI:81000 - Glucoaubrietin

ChEBI IDCHEBI:81000
ChEBI NameGlucoaubrietin
Stars
Last Modified7 March 2024
DownloadsMolfile
FormulaC15H21NO10S2
Net Charge0
Average Mass439.464
Monoisotopic Mass439.06069
SMILESCOc1ccc(CC(=NOS(=O)(=O)O)S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C15H21NO10S2/c1-24-9-4-2-8(3-5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1
InChIKeyOYRNEHKPHKBUCL-LFHLZQBKSA-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)
Glucoaubrietin (CHEBI:81000) is a glucosinolic acid (CHEBI:79316)
Synonym  Source
4-Methoxybenzyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C17273KEGG COMPOUND