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CHEBI:169537 - Kaempferol 7-cellobioside 3-sophoroside

ChEBI IDCHEBI:169537
ChEBI NameKaempferol 7-cellobioside 3-sophoroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O26
Net Charge0
Average Mass934.803
Monoisotopic Mass934.25903
SMILESO=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc(O)c12
InChIInChI=1S/C39H50O26/c40-7-16-21(46)25(50)29(54)37(59-16)63-33-19(10-43)62-36(31(56)28(33)53)57-13-5-14(45)20-15(6-13)58-32(11-1-3-12(44)4-2-11)34(24(20)49)64-39-35(27(52)23(48)18(9-42)61-39)65-38-30(55)26(51)22(47)17(8-41)60-38/h1-6,16-19,21-23,25-31,33,35-48,50-56H,7-10H2
InChIKeyARCGCLWCGQKSSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 7-cellobioside 3-sophoroside (CHEBI:169537) is a flavonoids (CHEBI:72544)
Kaempferol 7-cellobioside 3-sophoroside (CHEBI:169537) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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)chromen-4-one
Manual XrefsDatabases
HMDB0032786HMDB