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CHEBI:192942 - Kaempferol 3-sophoroside-7-(2''-ferulylglucoside)

ChEBI IDCHEBI:192942
ChEBI NameKaempferol 3-sophoroside-7-(2''-ferulylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H48O24
Net Charge0
Average Mass948.833
Monoisotopic Mass948.25355
SMILESCOc1cc(/C=C/C(=O)OC2[C@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O[C@@H]5OC(CO)[C@@H](O)C(O)[C@H]5O)c(-c5ccc(O)cc5)oc4c3)OC(CO)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)48)3-9-27(50)65-39-34(56)30(52)25(14-45)63-42(39)60-19-11-21(49)28-23(12-19)61-37(17-4-6-18(47)7-5-17)38(32(28)54)66-43-40(35(57)31(53)26(15-46)64-43)67-41-36(58)33(55)29(51)24(13-44)62-41/h2-12,24-26,29-31,33-36,39-49,51-53,55-58H,13-15H2,1H3/b9-3+/t24?,25?,26?,29-,30-,31-,33?,34+,35?,36-,39?,40?,41+,42-,43+/m1/s1
InChIKeyBERMBHHIFVPPBN-FFUREEDISA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-sophoroside-7-(2''-ferulylglucoside) (CHEBI:192942) is a flavonoids (CHEBI:72544)
Kaempferol 3-sophoroside-7-(2''-ferulylglucoside) (CHEBI:192942) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5S)-2-[3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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