CHEBI:136778 - quercetin 3-β-gentiobioside

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ChEBI Name quercetin 3-β-gentiobioside ChEBI ID CHEBI:136778 ChEBI ASCII Name quercetin 3-beta-gentiobioside Definition A quercetin O-glycoside in which the hydroxy hydrogen at position 3 of quercetin has been replaced by a gentiobiosyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H30O17 Net Charge 0 Average Mass 626.518 Monoisotopic Mass 626.14830 InChI InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 InChIKey FDRQPMVGJOQVTL-DEFKTLOSSA-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)[H] Metabolite of Species Details Ochradenus baccatus (NCBI:txid264972) Found in aerial part (BTO:0001658). See: PubMed Artemisia iwayomogi (NCBI:txid265784) See: PubMed 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-gentiobioside (CHEBI:136778) has functional parent gentiobiose (CHEBI:28066) quercetin 3-β-gentiobioside (CHEBI:136778) has role Brassica napus metabolite (CHEBI:140165) quercetin 3-β-gentiobioside (CHEBI:136778) is a disaccharide derivative (CHEBI:63353) quercetin 3-β-gentiobioside (CHEBI:136778) is a quercetin O-glycoside (CHEBI:76424) quercetin 3-β-gentiobioside (CHEBI:136778) is a tetrahydroxyflavone (CHEBI:38684) quercetin 3-β-gentiobioside (CHEBI:136778) is conjugate acid of quercetin 3-β-gentiobioside(2−) (CHEBI:231649) Incoming quercetin 3-β-gentiobioside(2−) (CHEBI:231649) is conjugate base of quercetin 3-β-gentiobioside (CHEBI:136778) IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside Synonyms Sources 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucosyl-(1→6)-β-D-glucoside ChEBI β-D-glucosyl-(1→6)-β-D-glucoside ChEBI quercetin 3-gentiobioside ChEBI quercetin β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI quercetin-3-gentiobioside MetaCyc Manual Xrefs Databases C00005411 KNApSAcK CPD-14820 MetaCyc LMPK12112096 LIPID MAPS View more database links Registry Numbers Types Sources 1339956 Reaxys Registry Number Reaxys 7431-83-6 CAS Registry Number KNApSAcK Citations Last Modified 24 June 2024