input word = C00029994

Metabolite InformationStructural formula
Name Cnidimoside A
Formula C21H26O10
Mw 438.15259705
CAS RN 155112-93-9
C_ID C00029994 ,
InChIKey VZTJAPXJLBMTAU-IGWRBAPPNA-N
InChICode InChI=1S/C21H26O10/c1-9(8-29-21-20(28)19(27)18(26)15(7-22)31-21)3-4-11-12(23)6-14-16(17(11)25)13(24)5-10(2)30-14/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3-/t15-,18-,19+,20-,21-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)C)O)C/C=C(\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCnidium japonicum Ref.
PlantaeApiaceaeCnidium monnieri Ref.
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