CHEBI:192442 - Myricetin 3,3'-digalactoside

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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 Myricetin 3,3'-digalactoside
ChEBI ID CHEBI:192442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H30O18
Net Charge 0
Average Mass 642.519
Monoisotopic Mass 642.14321
InChI InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2/t13?,14?,17-,18-,20-,21?,22?,23?,26+,27-/m0/s1
InChIKey FEWRYXXFMHQZRI-LKQQUFGMSA-N
SMILES O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)C(O)=C(O)C4)CO
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Myricetin 3,3'-digalactoside (CHEBI:192442) is a flavonoids (CHEBI:72544)
Myricetin 3,3'-digalactoside (CHEBI:192442) is a glycoside (CHEBI:24400)
IUPAC Name
2-[3,4-dihydroxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845104 ChemSpider
LMPK12112414 LIPID MAPS
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