input word = C00027091

Metabolite InformationStructural formula
Name Alstohentine
Formula C21H28N2O3
Mw 356.20999277
CAS RN 685508-22-9
C_ID C00027091 ,
InChIKey ZJGGZXMRMJYVBP-XYVMONBVNA-N
InChICode InChI=1S/C21H28N2O3/c1-12-21(25,11-24)16-9-19-20-14(8-18(22(19)2)15(16)10-26-12)13-6-4-5-7-17(13)23(20)3/h4-7,12,15-16,18-19,24-25H,8-11H2,1-3H3/t12-,15+,16+,18-,19-,21-/m0/s1
SMILES C[C@@H]1OC[C@@H]2[C@@H](C[C@H]3c4c(c5ccccc5n4C)C[C@@H]2N3C)[C@]1(O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
zoom in