input word = C00047582

Metabolite InformationStructural formula
Name Tabernine A
(+)-Tabernine A
Formula C16H17N3
Mw 251.14224756
CAS RN 1161940-61-9
C_ID C00047582 ,
InChIKey XVZUMBVXNRVUSW-UHFFFAOYNA-N
InChICode InChI=1S/C16H18N3/c1-10-9-13-12-5-3-4-6-14(12)18-16(13)15-7-8-17-11(2)19(10)15/h3-6,9,11,17-18H,7-8H2,1-2H3/t11-/m0/s1
SMILES c12c3c([nH]c1cccc2)c1n(c(c3)C)[C@H](NCC1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana elegans Ref.
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