CHEBI:136785 - kaempferol 3-β-gentiobioside

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ChEBI Name kaempferol 3-β-gentiobioside ChEBI ID CHEBI:136785 ChEBI ASCII Name kaempferol 3-beta-gentiobioside Definition A kaempferol O-glucoside in which the hydroxy hydrogen at position 3 of kaempferol has been replaced by a gentiobiosyl group.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 C27H30O16 Net Charge 0 Average Mass 610.519 Monoisotopic Mass 610.15338 InChI InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 InChIKey BITPRCODIALMOV-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=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 Asplenium obovatum subsp. obovatum (NCBI:txid1352539) See: PubMed Beta vulgaris subsp. cycla (NCBI:txid1527200) Found in leaf (BTO:0000713). See: DOI Tribulus terrestris (NCBI:txid210369) Found in fruit (BTO:0000486). See: PubMed Brassica napus (NCBI:txid3708) See: PubMed Brassica napus (NCBI:txid3708) See: MetaboLights Study Glycine max (NCBI:txid3847) Found in flower (BTO:0000469). See: PubMed Asplenium foreziense (NCBI:txid449817) See: PubMed Asplenium fontanum subsp. fontanum (NCBI:txid496881) See: PubMed Cassia alata (NCBI:txid53923) Found in leaf (BTO:0000713). See: PubMed Polygala japonica (NCBI:txid690795) Found in leaf (BTO:0000713). See: PubMed Asplenium incisum (NCBI:txid78463) See: PubMed 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 kaempferol 3-β-gentiobioside (CHEBI:136785) has functional parent gentiobiose (CHEBI:28066) kaempferol 3-β-gentiobioside (CHEBI:136785) has role Brassica napus metabolite (CHEBI:140165) kaempferol 3-β-gentiobioside (CHEBI:136785) is a disaccharide derivative (CHEBI:63353) kaempferol 3-β-gentiobioside (CHEBI:136785) is a kaempferol O-glucoside (CHEBI:64634) kaempferol 3-β-gentiobioside (CHEBI:136785) is a trihydroxyflavone (CHEBI:27116) IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside Synonyms Sources 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-β-D-glucosyl-β-D-glucoside ChEBI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl β-D-glucosyl-(1→6)-β-D-glucoside ChEBI kaempferol 3-gentiobioside ChEBI kaempferol 3-O-β-gentiobioside MetaCyc Kaempferol 3-O-gentiobioside ChEBI kaempferol β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI kaempferol β-D-glucosyl-(1→6)-β-D-glucoside ChEBI kaempferol-3-gentiobioside ChEBI Manual Xrefs Databases C00005166 KNApSAcK CPD-14847 MetaCyc LMPK12111731 LIPID MAPS View more database links Registry Numbers Types Sources 22149-35-5 CAS Registry Number KNApSAcK 6762460 Reaxys Registry Number Reaxys Citations Types Sources 10854741 PubMed citation Europe PMC 11725550 PubMed citation Europe PMC 12837355 PubMed citation Europe PMC 12875244 PubMed citation Europe PMC 17420179 PubMed citation Europe PMC 18825536 PubMed citation Europe PMC 18991205 PubMed citation Europe PMC 19177235 PubMed citation Europe PMC 23137344 PubMed citation Europe PMC IND21958602 Agricola citation Europe PMC Last Modified 15 March 2018