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CHEBI:169481 - Quercetin 3-glucosyl-(1->2)-galactoside

ChEBI IDCHEBI:169481
ChEBI NameQuercetin 3-glucosyl-(1->2)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESO=c1c(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18+,20?,21?,22-,25?,26+,27+/m1/s1
InChIKeyRDUAJIJVNHKTQC-CISVTPEQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-glucosyl-(1->2)-galactoside (CHEBI:169481) is a flavonoids (CHEBI:72544)
Quercetin 3-glucosyl-(1->2)-galactoside (CHEBI:169481) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
LMPK12112046LIPID MAPS
24844773ChemSpider