CHEBI:145204 - myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]

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ChEBI Name myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]
ChEBI ID CHEBI:145204
ChEBI ASCII Name myricetin 3-O-[(6-O-caffeoyl-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 hydroxy group at position 6 of the glucosyl group has been acylated by a caffeoyl [(1E)-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-3-yl] group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H36O20
Net Charge 0
Average Mass 788.664
Monoisotopic Mass 788.17999
InChI InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
InChIKey YHIHWLPOKDIYGF-ZLGVOOGTSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(/C=C/C2=CC=C(C(=C2)O)O)=O)O)O)O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@H]3O)O)C)OC=4C(C=5C(=CC(=CC5OC4C6=CC(=C(C(=C6)O)O)O)O)O)=O
ChEBI Ontology
Outgoing myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) has functional parent myricetin 3-O-[β-D-glucosyl-(1→2)-α-L-rhamnoside] (CHEBI:145201)
myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) is a glycosyloxyflavone (CHEBI:50018)
myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204) is conjugate acid of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428)
Incoming myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428) is conjugate base of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145204)
IUPAC Name
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranoside
Synonym Source
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl -2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-rhamnopyranoside IUPAC
Manual Xref Database
5J7 PDBeChem
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Citation Waiting for Citations Type Source
29967287 PubMed citation SUBMITTER
Last Modified
28 October 2019