input word = C00064339

Metabolite InformationStructural formula
Name 3,6-Ditigloyloxytropane
Formula C18H27NO4
Mw 321.19400836
CAS RN 47295-99-8
C_ID C00064339
InChIKey
InChICode InChI=1S/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14+,15+,16-/m0/s1;InChI=1S/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14-,15+,16-/m1/s1
SMILES CC=C(C)C(=O)OC1CC2CC(OC(=O)C(C)=CC)C(C1)N2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura ceratocaula Ref.
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