input word = C00050553

Metabolite InformationStructural formula
Name Canadinic acid
Formula C21H23NO6
Mw 385.15253747
CAS RN 190720-13-9
C_ID C00050553
InChIKey OBMCYABEWGVSQB-HNNXBMFYSA-N
InChICode InChI=1S/C21H23NO6/c1-22-7-6-12-9-17-18(28-11-27-17)10-14(12)15(22)8-13-4-5-16(25-2)20(26-3)19(13)21(23)24/h4-5,9-10,15H,6-8,11H2,1-3H3,(H,23,24)/t15-/m0/s1
SMILES COc1ccc(C[C@H]2c3cc4c(cc3CCN2C)OCO4)c(OC=O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceae/HydrastidaceaeHydrastis canadensis Ref.
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