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CHEBI:185867 - Larycitrin 3-(4''-malonylrhamnoside)

ChEBI IDCHEBI:185867
ChEBI NameLarycitrin 3-(4''-malonylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O15
Net Charge0
Average Mass564.452
Monoisotopic Mass564.11152
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](OC(=O)CC(=O)O)C(O)[C@@H]2O)cc(O)c1O
InChIInChI=1S/C25H24O15/c1-8-22(39-16(31)7-15(29)30)20(34)21(35)25(37-8)40-24-19(33)17-11(27)5-10(26)6-13(17)38-23(24)9-3-12(28)18(32)14(4-9)36-2/h3-6,8,20-22,25-28,32,34-35H,7H2,1-2H3,(H,29,30)/t8?,20?,21-,22-,25-/m0/s1
InChIKeyCLJHAXXQLXXEAX-ZRDPDTLNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Larycitrin 3-(4''-malonylrhamnoside) (CHEBI:185867) is a flavonoids (CHEBI:72544)
Larycitrin 3-(4''-malonylrhamnoside) (CHEBI:185867) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(3R,5S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3-oxopropanoic acid
Manual XrefsDatabases
LMPK12112481LIPID MAPS
24845169ChemSpider