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CHEBI:144447 - myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)

Default Structure
ChEBI IDCHEBI:144447
ChEBI Namemyricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−)
Stars
ASCII Namemyricetin 3-O-[(6-O-acetyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside](1-)
DefinitionA flavonoid oxoanion resulting from the deprotonation of the hydroxy group at positio 7 of the flavonoid moiety of myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]. Identified in PMID: 23549747 Fig. S21 peak 4.
Last Modified1 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H31O18
Net Charge-1
Average Mass667.549
Monoisotopic Mass667.15159
SMILESCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc([O-])cc(O)c4c3=O)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C29H32O18/c1-8-18(35)23(40)27(47-28-24(41)22(39)20(37)16(45-28)7-42-9(2)30)29(43-8)46-26-21(38)17-12(32)5-11(31)6-15(17)44-25(26)10-3-13(33)19(36)14(34)4-10/h3-6,8,16,18,20,22-24,27-29,31-37,39-41H,7H2,1-2H3/p-1/t8-,16+,18-,20+,22-,23+,24+,27+,28-,29-/m0/s1
InChIKeyFTRKDRKEWHDGFS-GXMGNJQQSA-M
ChEBI Ontology
Outgoing Relation(s)
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144447) has functional parent myricetin 3-O-[β-D-glucosyl-(1→2)-α-L-rhamnoside](1−) (CHEBI:144429)
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144447) is a flavonoid oxoanion (CHEBI:60038)
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144447) is conjugate base of myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145274)
Incoming Relation(s)
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside] (CHEBI:145274) is conjugate acid of myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](1−) (CHEBI:144447)
IUPAC Name 
3-{[2-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy}-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate
Synonym  Source
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-6-deoxy-α-L-mannopyranoside](1−)ChEBI
UniProt Name  Source
myricetin 3-O-[(6-O-acetyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside]UniProt
Citations