CHEBI:8878 - robinin

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ChEBI Name robinin
ChEBI ID CHEBI:8878
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C33H40O19
Net Charge 0
Average Mass 740.65930
Monoisotopic Mass 740.21638
InChI InChI=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
InChIKey PEFASEPMJYRQBW-HKWQTAEVSA-N
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)[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.
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ChEBI Ontology
Outgoing 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-rhamnoside ChEBI
Manual Xrefs Databases
C00005226 KNApSAcK
C10178 KEGG COMPOUND
LMPK12111685 LIPID MAPS
Robinin Wikipedia
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Registry Numbers Types Sources
301-19-9 CAS Registry Number KEGG COMPOUND
77236 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21232900 PubMed citation Europe PMC
25443416 PubMed citation Europe PMC
25969771 PubMed citation Europe PMC
7669169 PubMed citation Europe PMC
Last Modified
05 June 2015