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CHEBI:191834 - Kaempferol 3-sophoroside 7-glucuronide

ChEBI IDCHEBI:191834
ChEBI NameKaempferol 3-sophoroside 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O22
Net Charge0
Average Mass786.645
Monoisotopic Mass786.18547
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)cc4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C33H38O22/c34-7-14-17(38)20(41)24(45)32(51-14)55-29-22(43)18(39)15(8-35)52-33(29)53-27-19(40)16-12(37)5-11(6-13(16)50-26(27)9-1-3-10(36)4-2-9)49-31-25(46)21(42)23(44)28(54-31)30(47)48/h1-6,14-15,17-18,20-25,28-29,31-39,41-46H,7-8H2,(H,47,48)
InChIKeyBMGVSLWMOUPXTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-sophoroside 7-glucuronide (CHEBI:191834) is a flavonoids (CHEBI:72544)
Kaempferol 3-sophoroside 7-glucuronide (CHEBI:191834) 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-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0038769HMDB