input word = C00036090

Metabolite InformationStructural formula
Name Celerioside E
(+)-Celerioside E
Formula C20H36O8
Mw 404.24101813
CAS RN 654083-67-7
C_ID C00036090 ,
InChIKey DBWZPLQKCYDMCB-MUMHHYQXNA-N
InChICode InChI=1S/C20H36O8/c1-19(2,28-18-17(26)16(25)15(24)13(9-21)27-18)10-6-7-20(3)11(8-10)12(22)4-5-14(20)23/h10-18,21-26H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-,16+,17-,18+,20-/m1/s1
SMILES CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@H](O)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens L. Ref.
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OrganismApium graveolens L.
ReferenceKitajima,Phytochem.,64,(2003),1003