input word = C00013781

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside)
5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C37H38O19
Mw 786.20072904
CAS RN 352284-18-5
C_ID C00013781 ,
InChIKey YVMXOWMAJXNETB-MKQPTHEUNA-N
InChICode InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)42)3-9-25(44)54-35-29(47)27(45)23(13-38)52-37(35)55-33-24(14-39)53-36(31(49)30(33)48)56-34-28(46)26-20(43)11-18(41)12-22(26)51-32(34)16-4-6-17(40)7-5-16/h2-12,23-24,27,29-31,33,35-43,45,47-49H,13-14H2,1H3/b9-3+/t23-,24+,27-,29-,30-,31-,33+,35+,36-,37-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium porrum Ref.
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