CHEBI:81001 - Glucobarbarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Glucobarbarin
ChEBI ID CHEBI:81001
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H21NO10S2
Net Charge 0
Average Mass 439.45800
Monoisotopic Mass 439.06069
InChI InChI=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
InChIKey GAPDDBFHNYHZIS-LNUNAXHXSA-N
SMILES OC[C@H]1O[C@@H](SC(CC(O)c2ccccc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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 Glucobarbarin (CHEBI:81001) is a glucosinolic acid (CHEBI:79316)
Synonym Source
2(R)-Hydroxy-2-phenylethyl glucosinolate KEGG COMPOUND
Manual Xref Database
C17274 KEGG COMPOUND
View more database links
Last Modified
07 March 2024