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CHEBI:192442 - Myricetin 3,3'-digalactoside

ChEBI IDCHEBI:192442
ChEBI NameMyricetin 3,3'-digalactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O18
Net Charge0
Average Mass642.519
Monoisotopic Mass642.14321
SMILESO=c1c(O[C@@H]2OC(CO)[C@H](O)C(O)C2O)c(-c2cc(O)c(O)c(O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2)oc2cc(O)cc(O)c12
InChIInChI=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
InChIKeyFEWRYXXFMHQZRI-LKQQUFGMSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
24845104ChemSpider
LMPK12112414LIPID MAPS