input word = C00025093

Metabolite InformationStructural formula
Name Humantenirine
Formula C21H26N2O4
Mw 370.18925733
CAS RN 82375-30-2
C_ID C00025093 ,
InChIKey ZORKKCARNQAZRJ-LFOVGHPTNA-N
InChICode InChI=1S/C21H26N2O4/c1-4-12-10-22-17-9-21(19-8-14(12)15(17)11-27-19)16-6-5-13(25-2)7-18(16)23(26-3)20(21)24/h4-7,14-15,17,19,22H,8-11H2,1-3H3/b12-4+/t14-,15-,17-,19+,21-/m0/s1
SMILES C/C=C1CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
PlantaeGelsemiaceaeGelsemium rankinii Ref.
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