CHEBI:145788 - myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]

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ChEBI Name myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] ChEBI ID CHEBI:145788 ChEBI ASCII Name myricetin 3-O-[(6-O-trans-4-coumaroyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside] Definition A glycosyloxyflavone that is myricetin 3-O-[β-D-glucosyl-(1→2)-α-L-rhamnoside] in which the terminal glucose residue has been esterified at position 6 by formal condensation with 4-coumaric acid. Identified in Fig. S21 of PMID:29967287. 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 C36H36O19 Net Charge 0 Average Mass 772.665 Monoisotopic Mass 772.18508 InChI InChI=1S/C36H36O19/c1-13-25(43)30(48)34(55-35-31(49)29(47)27(45)22(53-35)12-50-23(42)7-4-14-2-5-16(37)6-3-14)36(51-13)54-33-28(46)24-18(39)10-17(38)11-21(24)52-32(33)15-8-19(40)26(44)20(41)9-15/h2-11,13,22,25,27,29-31,34-41,43-45,47-49H,12H2,1H3/b7-4+/t13-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1 InChIKey OIUNOWVSORDZMQ-KFDFXPCISA-N SMILES C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(/C=C/C5=CC=C(C=C5)O)=O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O ChEBI Ontology Outgoing myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) has functional parent trans-4-coumaric acid (CHEBI:32374) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) has functional parent myricetin (CHEBI:18152) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) is a cinnamate ester (CHEBI:36087) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) is a disaccharide derivative (CHEBI:63353) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) is a glycosyloxyflavone (CHEBI:50018) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) is a pentahydroxyflavone (CHEBI:25883) myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) is conjugate acid of myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−) (CHEBI:144445) Incoming myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−) (CHEBI:144445) is conjugate base of myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145788) Citation Type Source 29967287 PubMed citation SUBMITTER Last Modified 10 January 2020