CHEBI:81000 - Glucoaubrietin

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ChEBI Name Glucoaubrietin
ChEBI ID CHEBI:81000
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H21NO10S2
Net Charge 0
Average Mass 439.45800
Monoisotopic Mass 439.06069
InChI InChI=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
InChIKey OYRNEHKPHKBUCL-LFHLZQBKSA-N
SMILES COc1ccc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)cc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Glucoaubrietin (CHEBI:81000) is a glucosinolic acid (CHEBI:79316)
Synonym Source
4-Methoxybenzyl glucosinolate KEGG COMPOUND
Manual Xref Database
C17273 KEGG COMPOUND
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Last Modified
07 March 2024