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CHEBI:167951 - Laricitrin 3-galactoside

ChEBI IDCHEBI:167951
ChEBI NameLaricitrin 3-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O13
Net Charge0
Average Mass494.405
Monoisotopic Mass494.10604
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@H](O)C(O)C2O)cc(O)c1O
InChIInChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16+,18?,19?,22-/m1/s1
InChIKeyODXINVOINFDDDD-AHHZEYPCSA-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)
Laricitrin 3-galactoside (CHEBI:167951) is a flavonoids (CHEBI:72544)
Laricitrin 3-galactoside (CHEBI:167951) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112470LIPID MAPS
24845158ChemSpider