input word = C00025892

Metabolite InformationStructural formula
Name Iboluteine
Ibogaine pseudoindoxyl
Formula C20H26N2O2
Mw 326.19942809
CAS RN 468-11-1
C_ID C00025892 ,
InChIKey DQOMBBVESFBJLX-UTZULKEVNA-N
InChICode InChI=1S/C20H26N2O2/c1-3-13-8-12-9-16-18(13)22(11-12)7-6-20(16)19(23)15-10-14(24-2)4-5-17(15)21-20/h4-5,10,12-13,16,18,21H,3,6-9,11H2,1-2H3/t12-,13+,16-,18+,20+/m0/s1
SMILES C1[C@H]2C[C@H]3[C@@H]([C@@H]1CC)N(CC[C@@]13C(=O)c3c(N1)ccc(c3)OC)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaeTabernaemontana humblotii (Baill.) Pichon Ref.
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