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CHEBI:186286 - Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)

ChEBI IDCHEBI:186286
ChEBI NameQuercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H30O15
Net Charge0
Average Mass714.632
Monoisotopic Mass714.15847
SMILESCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2ccc(O)cc2)C(O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C37H30O15/c1-17-32(50-28(44)13-4-18-2-8-21(38)9-3-18)31(46)35(51-36(47)19-5-10-22(39)11-6-19)37(48-17)52-34-30(45)29-26(43)15-23(40)16-27(29)49-33(34)20-7-12-24(41)25(42)14-20/h2-17,31-32,35,37-43,46H,1H3/b13-4+/t17?,31?,32-,35-,37-/m0/s1
InChIKeyVJZCKTQRIDJDHL-HUNDBLRNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside) (CHEBI:186286) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside) (CHEBI:186286) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-3-yl] 4-hydroxybenzoate
Manual XrefsDatabases
24844936ChemSpider
LMPK12112216LIPID MAPS