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

ChEBI IDCHEBI:144445
ChEBI Namemyricetin 3-O-[(6-O-trans-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−)
Stars
ASCII Namemyricetin 3-O-[(6-O-trans-4-coumaroyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](2-)
DefinitionA 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.
Last Modified10 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H34O19
Net Charge-2
Average Mass770.649
Monoisotopic Mass770.17053
SMILESC[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc([O-])cc([O-])c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyOIUNOWVSORDZMQ-KFDFXPCISA-L
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
UniProt Name  Source
myricetin 3-O-[(6-O-(E)-4-coumaroyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]UniProt
Citations