input word = C00050297

Metabolite InformationStructural formula
Name Pterodontoside C
Formula C21H38O7
Mw 402.26175357
CAS RN 186374-64-1
C_ID C00050297 ,
InChIKey VHWTWCWOPLSCJH-IFZFPOJUNA-N
InChICode InChI=1S/C21H38O7/c1-19(2,26)12-6-9-20(3)7-5-8-21(4,14(20)10-12)28-18-17(25)16(24)15(23)13(11-22)27-18/h12-18,22-26H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,17+,18-,20-,21-/m0/s1
SMILES CC(C)(O)[C@H]1CC[C@]2(C)CCC[C@](C)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera pterodonta Ref.
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