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CHEBI:133218 - kaempferol 3-O-gentiobioside-7-O-rhamnoside

ChEBI IDCHEBI:133218
ChEBI Namekaempferol 3-O-gentiobioside-7-O-rhamnoside
Stars
ASCII Namekaempferol 3-O-gentiobioside-7-O-rhamnoside
DefinitionA glycosyloxyflavone that is kaempferol having gentiobiosyl and α-L-rhamnosyl residues attached at positions O-3 and O-7 respectively.
Last Modified16 February 2017
SubmitterKeeva
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILES[H][C@@]1(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)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32-,33-/m0/s1
InChIKeyQFSDWLPMRWDFID-CSNYLUTCSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS129)
- PubMed (27432888)
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)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) has functional parent kaempferol (CHEBI:28499)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a dihydroxyflavone (CHEBI:38686)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a disaccharide derivative (CHEBI:63353)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a gentiobioside (CHEBI:24215)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a glycosyloxyflavone (CHEBI:50018)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a polyphenol (CHEBI:26195)
kaempferol 3-O-gentiobioside-7-O-rhamnoside (CHEBI:133218) is a α-L-rhamnoside (CHEBI:27848)
IUPAC Name 
7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms  Source
kaempferol 3-glucoside-(1→6)-glucoside-7-α-L-rhamnosideLIPID MAPS
Kaempferol 3-gentiobioside-7-rhamnosideLIPID MAPS
Manual XrefsDatabases
kaempferol-3-O-gentiobioside-7-O-rhamnosideMetaCyc
LMPK12111762LIPID MAPS
C00005234KNApSAcK
HMDB0034396HMDB
Registry NumbersSources
CAS:173740-43-7KNApSAcK