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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside
ChEBI ID CHEBI:180893
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H50O25
Net Charge 0
Average Mass 918.804
Monoisotopic Mass 918.26412
InChI InChI=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
InChIKey QLLBJLPRDZPFEQ-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1C)OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)C)=CC3O)C7OC(C(O)C(O)C7O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0032009 HMDB
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