input word = C00051041

Metabolite InformationStructural formula
Name Jionoside E
Formula C35H46O19
Mw 770.26332929
CAS RN 120406-35-1
C_ID C00051041
InChIKey PMQVHVYIDZRZIK-JEZOHMKWNA-N
InChICode InChI=1S/C35H46O19/c1-15-24(41)26(43)29(46)35(50-15)54-32-30(47)34(48-11-10-17-4-8-19(38)20(39)12-17)52-22(14-49-33-28(45)27(44)25(42)21(13-36)51-33)31(32)53-23(40)9-5-16-2-6-18(37)7-3-16/h2-9,12,15,21-22,24-39,41-47H,10-11,13-14H2,1H3/b9-5+/t15-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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