input word = C00032022

Metabolite InformationStructural formula
Name Mitragynalinic acid
Formula C22H24N2O5
Mw 396.16852189
CAS RN 132943-53-4
C_ID C00032022 ,
InChIKey BZCUJLGQIQXOMA-SDXDJHTJNA-N
InChICode InChI=1S/C22H24N2O5/c1-3-12-9-24-8-7-13-19-16(5-4-6-17(19)29-2)23-20(13)21(24)14(10-25)18(12)15(11-26)22(27)28/h4-6,10-12,14,21,23H,3,7-9H2,1-2H3,(H,27,28)/b18-15-/t12-,14+,21-/m1/s1
SMILES CCC1CN2CCc3c([nH]c4cccc(OC)c34)C2C(C=O)/C1=C(/C=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Ref.
zoom in