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CHEBI:65378 - albibrissinoside A

ChEBI IDCHEBI:65378
ChEBI Namealbibrissinoside A
Stars
DefinitionA disaccharide derivative isolated from the stems of Albizia julibrissin that exhibits antioxidant activity.
Last Modified31 October 2012
DownloadsMolfile
FormulaC29H38O17
Net Charge0
Average Mass658.606
Monoisotopic Mass658.21090
SMILES[H][C@@]1(O[C@H]2[C@H](Oc3cc(OC)c(OC)c(OC)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)OC[C@](O)(COC(=O)c2cc(OC)c(O)c(OC)c2)[C@H]1O
InChIInChI=1S/C29H38O17/c1-37-15-6-13(7-16(38-2)20(15)31)26(35)42-11-29(36)12-43-28(25(29)34)46-24-22(33)21(32)19(10-30)45-27(24)44-14-8-17(39-3)23(41-5)18(9-14)40-4/h6-9,19,21-22,24-25,27-28,30-34,36H,10-12H2,1-5H3/t19-,21-,22+,24-,25+,27-,28+,29-/m1/s1
InChIKeyLBCYGUJDJLOLKR-RRMXGVNISA-N
Species of MetaboliteComponentSourceComments
Albizia julibrissin (ncbitaxon:3813) stem (BTO:0001300) PubMed (15577257) Previous component: stem bark;
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
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)
albibrissinoside A (CHEBI:65378) has functional parent 3,4,5-trimethoxyphenol (CHEBI:2760)
albibrissinoside A (CHEBI:65378) has role metabolite (CHEBI:25212)
albibrissinoside A (CHEBI:65378) has role radical scavenger (CHEBI:48578)
albibrissinoside A (CHEBI:65378) is a benzoate ester (CHEBI:36054)
albibrissinoside A (CHEBI:65378) is a disaccharide derivative (CHEBI:63353)
albibrissinoside A (CHEBI:65378) is a methoxybenzenes (CHEBI:51683)
albibrissinoside A (CHEBI:65378) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3,4,5-trimethoxyphenyl 2-O-[(2S,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3,5-dimethoxybenzoyl)oxy]methyl}tetrahydrofuran-2-yl]-β-D-glucopyranoside
Synonym  Source
3,4,5-trimethoxyphenyl-1-O-β-D-(5-O-syringoyl)-apiofuranosyl-(1→2)-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:9978781Reaxys
Citations