CHEBI:144446 - myricetin 3-O-[(6-O-trans-feruloyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−)

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ChEBI Name myricetin 3-O-[(6-O-trans-feruloyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−)
ChEBI ID CHEBI:144446
ChEBI ASCII Name myricetin 3-O-[(6-O-trans-feruloyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](2-)
Definition Identified in Fig. S21 peak 3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C37H36O20
Net Charge -2
Average Mass 800.676
Monoisotopic Mass 800.18109
InChI InChI=1S/C37H38O20/c1-13-26(44)31(49)35(57-36-32(50)30(48)28(46)23(55-36)12-52-24(43)6-4-14-3-5-17(39)21(7-14)51-2)37(53-13)56-34-29(47)25-18(40)10-16(38)11-22(25)54-33(34)15-8-19(41)27(45)20(42)9-15/h3-11,13,23,26,28,30-32,35-42,44-46,48-50H,12H2,1-2H3/p-2/b6-4+/t13-,23+,26-,28+,30-,31+,32+,35+,36-,37-/m0/s1
InChIKey FDLCWZWBKKRDLM-SIZJWXLGSA-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)OC)O)=O)O)O)O)C6=CC(=C(C(=C6)O)O)O)[O-])[O-]
ChEBI Ontology
Outgoing myricetin 3-O-[(6-O-trans-feruloyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−) (CHEBI:144446) is a flavonoid oxoanion (CHEBI:60038)
Synonym Source
myricetin 3-O-[(6-O-[(E)-feruloyl]-β-D-glucosyl)-(1→2)-α-L-rhamnoside] UniProt
Citation Waiting for Citations Type Source
23549747 PubMed citation SUBMITTER