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CHEBI:188322 - Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside

ChEBI IDCHEBI:188322
ChEBI NameQuercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H46O23
Net Charge0
Average Mass918.807
Monoisotopic Mass918.24299
SMILESCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@@H]2OC(COC(=O)/C=C/c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3)[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O
InChIInChI=1S/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15?,24?,25?,28-,29+,30+,32-,33?,34?,35?,36+,39-,40+,41-,42-/m0/s1
InChIKeySENXSEXWQKRDKG-XCZJMXPLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside (CHEBI:188322) is a flavonoids (CHEBI:72544)
Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside (CHEBI:188322) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,5R,6S)-6-[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Manual XrefsDatabases
LMPK12112220LIPID MAPS
24844940ChemSpider