input word = C00005233

Metabolite InformationStructural formula
Name Kaempferol 3-gentiobioside-7-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 84543-10-2
C_ID C00005233 ,
InChIKey XQMSVCWAXNJPDA-BZZUQPSMNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-12(49-32-27(46)24(43)20(39)16(8-35)52-32)6-14(18)50-29(30)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17-,19+,20+,21+,23-,24-,25-,26-,27-,28+,31+,32+,33-/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[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia glutinosa Ref.
PlantaeZygophyllaceaeFagonia microphylla Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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