CHEBI:144445 - myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−)

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ChEBI Name myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−) ChEBI ID CHEBI:144445 ChEBI ASCII Name myricetin 3-O-[(6-O-trans-4-coumaroyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](2-) Definition A flavonoid oxoanion resulting from the deprotonation of the hydroxy groups at positions 5 and 7 of the flavonoid ring of myricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]. Identified in Fig. S21 peak 2 of PMID:29967287. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C36H34O19 Net Charge -2 Average Mass 770.650 Monoisotopic Mass 770.17053 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/p-2/b7-4+/t13-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1 InChIKey OIUNOWVSORDZMQ-KFDFXPCISA-L 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](2−) (CHEBI:144445) is a flavonoid oxoanion (CHEBI:60038) 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) Incoming 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) Synonym Source myricetin 3-O-[(6-O-(E)-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] UniProt Citation Type Source 29967287 PubMed citation SUBMITTER Last Modified 10 January 2020