CHEBI:136780 - quercetin 3-β-gentiotrioside

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ChEBI Name quercetin 3-β-gentiotrioside ChEBI ID CHEBI:136780 ChEBI ASCII Name quercetin 3-beta-gentiotrioside Definition A quercetin O-glycoside in which the hydroxy hydrogen at position 3 of quercetin has been replaced by a gentiotriosyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H40O22 Net Charge 0 Average Mass 788.659 Monoisotopic Mass 788.20112 InChI InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1 InChIKey XXHSUYNZCSBPBG-GZIDCZEMSA-N SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@]6(O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[H])[H] Metabolite of Species Details Brassica napus (NCBI:txid3708) See: PubMed Brassica napus (NCBI:txid3708) See: MetaboLights Study Roles Classification Biological Role(s): Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). View more via ChEBI Ontology ChEBI Ontology Outgoing quercetin 3-β-gentiotrioside (CHEBI:136780) has role Brassica napus metabolite (CHEBI:140165) quercetin 3-β-gentiotrioside (CHEBI:136780) is a quercetin O-glycoside (CHEBI:76424) quercetin 3-β-gentiotrioside (CHEBI:136780) is a tetrahydroxyflavone (CHEBI:38684) quercetin 3-β-gentiotrioside (CHEBI:136780) is a trisaccharide derivative (CHEBI:63571) IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside Synonyms Sources 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucosyl-(1→6)-β-D-glucosyl-(1→6)-β-D-glucoside ChEBI moracetin ChEBI quercetin 3-gentiotrioside ChEBI quercetin β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI quercetin β-D-glucosyl-(1→6)-β-D-glucosyl-(1→6)-β-D-glucoside ChEBI quercetin-3-gentiotrioside MetaCyc Manual Xrefs Databases CPD-14821 MetaCyc HMDB0040487 HMDB View more database links Registry Number Type Source 6765012 Reaxys Registry Number Reaxys Last Modified 15 March 2018