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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quercetin 3-glucosyl-(1->2)-galactoside
ChEBI ID CHEBI:169481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O17
Net Charge 0
Average Mass 626.520
Monoisotopic Mass 626.14830
InChI InChI=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
InChIKey RDUAJIJVNHKTQC-CISVTPEQSA-N
SMILES O(C1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC([C@@H](O)C(O)[C@H]5O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844773 ChemSpider
LMPK12112046 LIPID MAPS
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