input word = C00044426

Metabolite InformationStructural formula
Name 19-epi-Heyneanine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 437764-37-9
C_ID C00044426 ,
InChIKey VGDQBNXQAOYMPS-VRZHJBSDNA-N
InChICode InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13-,16-,19+,21-/m1/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@]2([C@H]3N(CC1)C[C@@H](C2)C[C@@H]3[C@@H](C)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana calcarea Ref.
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