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

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ChEBI Name Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)
ChEBI ID CHEBI:186286
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H30O15
Net Charge 0
Average Mass 714.632
Monoisotopic Mass 714.15847
InChI InChI=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
InChIKey VJZCKTQRIDJDHL-HUNDBLRNSA-N
SMILES O1C([C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844936 ChemSpider
LMPK12112216 LIPID MAPS
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