input word = C00002134

Metabolite InformationStructural formula
Name Anisotine
Formula C20H19N3O3
Mw 349.1426415
CAS RN 16688-19-0
C_ID C00002134 ,
InChIKey FZKRWTVMKFSFSG-UHFFFAOYNA-N
InChICode InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3/t13-/m1/s1
SMILES c1ccc2c(c1)c(=O)n1c(n2)[C@H](CC1)c1ccc(c(c1)C(=O)OC)NC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAdhatoda vasica Ref.
PlantaeAcanthaceaeAdhotoda vasica Ref.
PlantaeAcanthaceaeAnisotes sessiflorus Ref.
PlantaeAcanthaceaeAnisotes sessiliflorus Ref.
PlantaeAcanthaceaeAnisotes trisulcus Ref.
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