input word = C00038489

Metabolite InformationStructural formula
Name Arbophylline
(+)-Arbophylline
Formula C21H22N2O4
Mw 366.15795721
CAS RN 917600-41-0
C_ID C00038489 ,
InChIKey DQEDBUJNNQTWOB-VHLVCNSBNA-N
InChICode InChI=1S/C21H22N2O4/c1-3-11-10-23-15-8-13(11)20(18(24)25-2)17(23)26-16-9-19(20)12-6-4-5-7-14(12)22-21(15,19)27-16/h3-7,13,15-17,22H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17-,19-,20-,21-/m0/s1
SMILES C/C=C1/CN2C3O[C@@H]4CC56c7ccccc7N[C@]5(O4)[C@@H]2CC1C36C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia arborea Ref.
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