input word = C00005917

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-caffeyllaminaribioside)-7-rhamnoside
Formula C42H46O23
Mw 918.24298778
CAS RN 128700-29-8
C_ID C00005917 ,
InChIKey MKEHIHDELIMSAJ-XUUNKYCKNA-N
InChICode InChI=1S/C42H46O23/c1-15-28(50)32(54)34(56)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(31(27)53)65-42-39(63-26(49)9-3-16-2-8-20(46)21(47)10-16)37(30(52)25(14-44)62-42)64-41-35(57)33(55)29(51)24(13-43)61-41/h2-12,15,24-25,28-30,32-35,37,39-48,50-52,54-57H,13-14H2,1H3/b9-3+/t15-,24+,25-,28+,29-,30-,32+,33-,34-,35-,37+,39-,40+,41+,42+/m1/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[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)OC(=O)/C=C/c1ccc(c(c1)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
PlantaeAspleniaceaeAsplenium scolopendrium Ref.
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