input word = C00025179

Metabolite InformationStructural formula
Name Isocorynantheidine
Formula C22H28N2O3
Mw 368.20999277
CAS RN 7729-22-8
C_ID C00025179 ,
InChIKey NMLUOJBSAYAYEM-OZZPRBCRNA-N
InChICode InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20-/m1/s1
SMILES CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=COC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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