input word = C00005875

Metabolite InformationStructural formula
Name Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside
Formula C36H36O19
Mw 772.18507897
CAS RN 107140-37-4
C_ID C00005875 ,
InChIKey MHBUMWSSMYKOPF-GDRJPNJNNA-N
InChICode InChI=1S/C36H36O19/c37-12-22-26(44)30(48)34(55-35-31(49)29(47)27(45)23(53-35)13-50-24(43)8-2-14-1-7-18(40)19(41)9-14)36(52-22)54-33-28(46)25-20(42)10-17(39)11-21(25)51-32(33)15-3-5-16(38)6-4-15/h1-11,22-23,26-27,29-31,34-42,44-45,47-49H,12-13H2/b8-2+/t22-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBlechnaceaeBrainea insignis Ref.
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