input word = C00005918

Metabolite InformationStructural formula
Name Kaempferol 3-(4''-caffeyllaminaribioside)-7-rhamnoside
Formula C42H46O23
Mw 918.24298778
CAS RN 75848-03-2
C_ID C00005918 ,
InChIKey GQBJDHKATVDMCU-CFJWETKMNA-N
InChICode InChI=1S/C42H46O23/c1-15-28(50)31(53)33(55)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(30(27)52)64-42-35(57)39(65-41-34(56)32(54)29(51)24(13-43)61-41)37(25(14-44)62-42)63-26(49)9-3-16-2-8-20(46)21(47)10-16/h2-12,15,24-25,28-29,31-35,37,39-48,50-51,53-57H,13-14H2,1H3/b9-3+/t15-,24-,25-,28-,29+,31-,32-,33-,34+,35+,37+,39-,40-,41-,42-/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)OC(=O)/C=C/c1cc(c(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaePhyllitis scolopendrium Ref.
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