input word = C00001788

Metabolite InformationStructural formula
Name Vomicine
Formula C22H24N2O4
Mw 380.17360727
CAS RN 125-15-5
C_ID C00001788 ,
InChIKey ZMTYENXGROJCEA-YQUUTRSMNA-N
InChICode InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1
SMILES N12C(=O)C[C@H]3[C@H]4[C@H]1[C@@]1(C(=O)C[C@H]4C(=CCO3)CN(CC1)C)c1c2c(ccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
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