input word = C00025077

Metabolite InformationStructural formula
Name 16,17-Anhydrotacamine
Formula C21H24N2O2
Mw 336.18377802
CAS RN 56942-59-7
C_ID C00025077 ,
InChIKey HUJHMNHVYIYOMD-DRHRYECJNA-N
InChICode InChI=1S/C21H24N2O2/c1-3-13-10-14-11-18(21(24)25-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)19(14)20(16)23/h4-7,11,13-14,19H,3,8-10,12H2,1-2H3/t13-,14-,19-/m1/s1
SMILES CC[C@@H]1C[C@@H]2C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana eglandulosa Ref.
PlantaeApocynaceaeTabernaemontana eglandulosa Stapf Ref.
zoom in