input word = C00036086

Metabolite InformationStructural formula
Name Celerioside A
Formula C21H34O9
Mw 430.22028269
CAS RN 654083-63-3
C_ID C00036086 ,
InChIKey ZJKAPNQKNPVKFU-YGFPOLMMNA-N
InChICode InChI=1S/C21H34O9/c1-19(2,29-17-16(26)15(25)14(24)11(9-22)28-17)10-4-7-21-12(8-10)20(3,30-18(21)27)6-5-13(21)23/h10-17,22-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16-,17+,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@@]23C(=O)O[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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