CHEBI:144428 - myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)
ChEBI ID CHEBI:144428
ChEBI ASCII Name myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](1-)
Definition A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C36H35O20
Net Charge -1
Average Mass 787.657
Monoisotopic Mass 787.17272
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/p-1/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
InChIKey YHIHWLPOKDIYGF-ZLGVOOGTSA-M
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](1−) (CHEBI:144428) is a flavonoid oxoanion (CHEBI:60038)
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)
Incoming montbretin A (CHEBI:144419) has functional parent myricetin 3-O-[(6-O-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144428)
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)
IUPAC Name
3-[(6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranosyl)oxy]-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate
Synonyms Sources
mini-MbA SUBMITTER
mini-montbretin A SUBMITTER
myricetin 3-O-[(6-O-(E)-caffeoyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] UniProt
Citation Waiting for Citations Type Source
29967287 PubMed citation SUBMITTER
Last Modified
28 October 2019