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 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]23CO[C@@](C)(CC[C@H]2O)[C@@H]3C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens L. Ref.
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