input word = C00036087

Metabolite InformationStructural formula
Name Celerioside B
(-)-Celerioside B
Formula C21H36O8
Mw 416.24101813
CAS RN 654083-64-4
C_ID C00036087 ,
InChIKey SVTDNHQQQWBECF-OLFQBALSNA-N
InChICode InChI=1S/C21H36O8/c1-19(2,29-18-17(26)16(25)15(24)12(9-22)28-18)11-4-7-21-10-27-20(3,13(21)8-11)6-5-14(21)23/h11-18,22-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,20+,21+/m1/s1
SMILES [C@H]1(CC[C@]23[C@@H](C1)[C@@](CC[C@H]2O)(C)OC3)C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens L. Ref.
zoom in