input word = C00064390

Metabolite InformationStructural formula
Name 3-(3'-Acetoxytropoyloxy)tropane
Formula C19H25NO4
Mw 331.17835829
CAS RN 535995-20-1
C_ID C00064390
InChIKey FFTQFHULPHYOIS-UHFFFAOYSA-N
InChICode InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3
SMILES CC(=O)OCC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura ceratocaula Ref.
PlantaeSolanaceaeDatura stramonium Ref.
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