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CHEBI:191788 - Kaempferol 3-sophoroside 7-glucoside

ChEBI IDCHEBI:191788
ChEBI NameKaempferol 3-sophoroside 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O21
Net Charge0
Average Mass772.662
Monoisotopic Mass772.20621
SMILESO=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12
InChIInChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2
InChIKeyMBFNAZBJKVFNKZ-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-glucoside (CHEBI:191788) is a flavonoids (CHEBI:72544)
Kaempferol 3-sophoroside 7-glucoside (CHEBI:191788) is a glycoside (CHEBI:24400)
IUPAC Name 
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)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0037207HMDB