CHEBI:145766 - quercetin 3-O-gentiotetroside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quercetin 3-O-gentiotetroside
ChEBI ID CHEBI:145766
ChEBI ASCII Name quercetin 3-O-gentiotetroside
Definition A quercetin O-glucoside that is quercetin attached to a β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside residue at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H50O27
Net Charge 0
Average Mass 950.802
Monoisotopic Mass 950.25395
InChI InChI=1S/C39H50O27/c40-6-16-21(45)26(50)30(54)36(62-16)58-7-17-22(46)27(51)31(55)37(63-17)59-8-18-23(47)28(52)32(56)38(64-18)60-9-19-24(48)29(53)33(57)39(65-19)66-35-25(49)20-14(44)4-11(41)5-15(20)61-34(35)10-1-2-12(42)13(43)3-10/h1-5,16-19,21-24,26-33,36-48,50-57H,6-9H2/t16-,17-,18-,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1
InChIKey DLIYOJUVMRMRGS-UMQUMIMUSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)OC[C@H]3O[C@H]([C@@H]([C@H]([C@@H]3O)O)O)OC[C@H]4O[C@H]([C@@H]([C@H]([C@@H]4O)O)O)OC5=C(OC6=CC(=CC(=C6C5=O)O)O)C=7C=C(C(=CC7)O)O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quercetin 3-O-gentiotetroside (CHEBI:145766) has role plant metabolite (CHEBI:76924)
quercetin 3-O-gentiotetroside (CHEBI:145766) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3-O-gentiotetroside (CHEBI:145766) is a tetrahydroxyflavone (CHEBI:38684)
quercetin 3-O-gentiotetroside (CHEBI:145766) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
Synonym Source
quercetin-3-gentiotetraside MetaCyc
Manual Xref Database
CPD-14822 MetaCyc
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Citation Waiting for Citations Type Source
19561332 PubMed citation Europe PMC
Last Modified
08 January 2020