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CHEBI:180893 - Quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside

ChEBI IDCHEBI:180893
ChEBI NameQuercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O25
Net Charge0
Average Mass918.804
Monoisotopic Mass918.26412
SMILESCC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3
InChIKeyQLLBJLPRDZPFEQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside (CHEBI:180893) is a flavonoids (CHEBI:72544)
Quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside (CHEBI:180893) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0032009HMDB