input word = C00036089

Metabolite InformationStructural formula
Name Celerioside D
Formula C21H36O8
Mw 416.24101813
CAS RN 654083-66-6
C_ID C00036089 ,
InChIKey LHONWXPQABNHFF-WXHBKXHANA-N
InChICode InChI=1S/C21H36O8/c1-10-7-13(23)18(27)21(4)6-5-11(8-12(10)21)20(2,3)29-19-17(26)16(25)15(24)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14-,15-,16+,17-,18-,19+,21-/m1/s1
SMILES [C@H]1(CC[C@@]2([C@@H](C1)C(=C)C[C@@H]([C@H]2O)O)C)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.
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