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CHEBI:8878 - robinin

ChEBI IDCHEBI:8878
ChEBI Namerobinin
Stars
DefinitionA glycosyloxyflavone that is kaempherol substituted by a 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl residue at position 3 and a 6-deoxy-α-L-mannopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified5 June 2015
DownloadsMolfile
FormulaC33H40O19
Net Charge0
Average Mass740.664
Monoisotopic Mass740.21638
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1
InChIKeyPEFASEPMJYRQBW-HKWQTAEVSA-N
Wikipedia
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)
robinin (CHEBI:8878) has functional parent kaempferol (CHEBI:28499)
robinin (CHEBI:8878) has role plant metabolite (CHEBI:76924)
robinin (CHEBI:8878) is a dihydroxyflavone (CHEBI:38686)
robinin (CHEBI:8878) is a glycosyloxyflavone (CHEBI:50018)
IUPAC Name 
7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside
Synonym  Source
kaempherol-3-O-robinoside-7-O-rhamnosideChEBI
Manual XrefsDatabases
C10178KEGG COMPOUND
C00005226KNApSAcK
LMPK12111685LIPID MAPS
RobininWikipedia
Registry NumbersSources
Reaxys:77236Reaxys
CAS:301-19-9KEGG COMPOUND
Citations