input word = C00030371

Metabolite InformationStructural formula
Name Gelsempervine A
Formula C22H26N2O4
Mw 382.18925733
CAS RN 865187-17-3
C_ID C00030371 ,
InChIKey CZRUSFCSECMUDS-HYCQBCOCNA-N
InChICode InChI=1S/C22H26N2O4/c1-4-13-11-24(2)19-9-15-14-7-5-6-8-17(14)23-20(15)18(26)10-16(13)22(19,12-25)21(27)28-3/h4-8,16,19,23,25H,9-12H2,1-3H3/b13-4-/t16-,19-,22+/m0/s1
SMILES C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1C2(CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
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