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CHEBI:167966 - Laricitrin 3-(6''-acetylglucoside)

ChEBI IDCHEBI:167966
ChEBI NameLaricitrin 3-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O14
Net Charge0
Average Mass536.442
Monoisotopic Mass536.11661
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](COC(C)=O)[C@@H](O)C(O)C2O)cc(O)c1O
InChIInChI=1S/C24H24O14/c1-8(25)35-7-15-18(30)20(32)21(33)24(37-15)38-23-19(31)16-11(27)5-10(26)6-13(16)36-22(23)9-3-12(28)17(29)14(4-9)34-2/h3-6,15,18,20-21,24,26-30,32-33H,7H2,1-2H3/t15-,18-,20?,21?,24-/m1/s1
InChIKeyPOSCXXNRWPAPHO-QKBIWBOTSA-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-(6''-acetylglucoside) (CHEBI:167966) is a flavonoids (CHEBI:72544)
Laricitrin 3-(6''-acetylglucoside) (CHEBI:167966) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,6R)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845164ChemSpider
LMPK12112476LIPID MAPS