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CHEBI:192389 - Quercetin 7-glucuronoside 3-sophoroside

ChEBI IDCHEBI:192389
ChEBI NameQuercetin 7-glucuronoside 3-sophoroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O23
Net Charge0
Average Mass802.644
Monoisotopic Mass802.18039
SMILESO=C(O)C1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)
InChIKeyMBLCMVKVVNMTFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 7-glucuronoside 3-sophoroside (CHEBI:192389) is a flavonoids (CHEBI:72544)
Quercetin 7-glucuronoside 3-sophoroside (CHEBI:192389) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0039335HMDB