input word = C00055294

Metabolite InformationStructural formula
Name Cnidimol 7-glucoside
Formula C21H26O10
Mw 438.15259705
CAS RN 121748-72-9
C_ID C00055294
InChIKey VAWXDOOFPWDVPC-LBKUQSTESA-N
InChICode InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+/t15-,18-,19+,20-,21-/m1/s1
SMILES C/C(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
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OrganismAngelica archangelica
ReferenceSpath, E.Ber., 1941, 74, 1851-1866 (isol, struct)