input word = C00025182

Metabolite InformationStructural formula
Name Isopaynantheine
3-Isopaynantheine
Formula C23H28N2O4
Mw 396.2049074
CAS RN 22032-51-5
C_ID C00025182 ,
InChIKey JGZKIGWXPPFMRG-OJBDFOBKNA-N
InChICode InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19+/m0/s1
SMILES c1ccc2c(c1OC)c1c([nH]2)[C@@H]2N(CC1)C[C@@H]([C@H](C2)/C(=C\OC)/C(=O)OC)C=C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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