input word = C00025720

Metabolite InformationStructural formula
Name 16-Epiisositsirikine
16-epi-19E-Isositsirikine
16-epi-Isositsirikine
Epiisositsirikine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 60031-91-6
C_ID C00025720 ,
InChIKey RGXKJLTVROJBKZ-DBYBWNORNA-N
InChICode InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17+,19-/m0/s1
SMILES C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana pachysiphon Stapf. Ref.
PlantaeApocynaceaeTabernaemontana psorocarpa (Pierre ex Stapf) Pichon Ref.
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OrganismTabernaemontana psorocarpa (Pierre ex Stapf) Pichon
ReferenceAchenbach,Planta Med.,46,(1982),88

van Beek,Planta Med.,47,(1983),83