input word = C00036088

Metabolite InformationStructural formula
Name Celerioside C
(-)-Celerioside C
Formula C21H36O8
Mw 416.24101813
CAS RN 654083-65-5
C_ID C00036088 ,
InChIKey BYHLWAMJPOIZOR-MQDABUMDNA-N
InChICode InChI=1S/C21H36O8/c1-11-4-5-15(24)21(10-23)7-6-12(8-13(11)21)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h12-19,22-27H,1,4-10H2,2-3H3/t12-,13+,14-,15-,16-,17+,18-,19+,21+/m1/s1
SMILES [C@H]1(CC[C@@]2([C@@H](C1)C(=C)CC[C@H]2O)CO)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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