input word = C00051040

Metabolite InformationStructural formula
Name Jionoside C
Formula C29H36O13
Mw 592.21559124
CAS RN 120406-33-9
C_ID C00051040
InChIKey UKRDIRUVTNZWOU-UHFFFAOYNA-N
InChICode InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-12-11-16-5-3-2-4-6-16)40-20(14-30)26(27)41-21(33)10-8-17-7-9-18(31)19(32)13-17/h2-10,13,15,20,22-32,34-37H,11-12,14H2,1H3
SMILES CC1OC(OC2C(O)C(OCCc3ccccc3)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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