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 CC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)C4OC(=O)/C=C/c4ccc(O)c(O)c4)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium scolopendrium Ref.
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