input word = C00036967

Metabolite InformationStructural formula
Name Cuminoside A
Formula C21H30O8
Mw 410.19406794
CAS RN 597565-58-7
C_ID C00036967 ,
InChIKey WHKZFBZPPKMCMS-RFTRTQAUNA-N
InChICode InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h4,12-18,20,22-25H,5-8H2,1-3H3/t12-,13+,14+,15+,16-,17+,18+,20-,21-/m0/s1
SMILES [C@@H]12C(=C(C(=O)O2)C)CC[C@@]([C@@H]2[C@H]1C(=CC2)C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCuminum cymimum L Ref.
PlantaeApiaceaeCuminum cyminum Ref.
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OrganismCuminum cymimum L
ReferenceTakayanagi,Phytochem.,63,(2003),479