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 CC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](OC(=O)/C=C/c5ccc(O)c(O)c5)C(O[C@@H]5OC(CO)[C@@H](O)C(O)[C@H]5O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaePhyllitis scolopendrium Ref.
zoom in