input word = C00025188

Metabolite InformationStructural formula
Name Mitrafoline
Mitragynol
Formula C22H28N2O5
Mw 400.19982202
CAS RN 55903-79-2
C_ID C00025188 ,
InChIKey IXWWTVSMMIIIFZ-XVUWYYMCNA-N
InChICode InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(19-16(23-21(22)27)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)20(26)29-3/h5-7,12-14,18,25H,4,8-11H2,1-3H3,(H,23,27)/b15-12+/t13-,14+,18+,22-/m1/s1
SMILES CC[C@@H]1CN2CC[C@@]3(C(=O)Nc4cccc(O)c43)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna rotundifolia Ref.
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
zoom in