input word = C00002133

Metabolite InformationStructural formula
Name Anisessine
Formula C20H19N3O3
Mw 349.1426415
CAS RN 16688-20-3
C_ID C00002133 ,
InChIKey XESDUHSYWZBXPQ-UHFFFAOYNA-N
InChICode InChI=1S/C20H19N3O3/c1-2-26-20(25)14-8-4-6-10-16(14)21-17-11-12-23-18(17)22-15-9-5-3-7-13(15)19(23)24/h3-10,17,21H,2,11-12H2,1H3/t17-/m1/s1
SMILES c1ccc2c(c1)c(=O)n1c(n2)[C@@H](CC1)Nc1ccccc1C(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate Secologanin
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAnisotes sessiflorus Ref.
PlantaeAcanthaceaeAnisotes sessiliflorus Ref.
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OrganismAnisotes sessiliflorus
ReferenceArndt,Tetrahedron,23,(1967),3521