input word = C00027973

Metabolite InformationStructural formula
Name Bruceolline C
Formula C16H12N2O4
Mw 296.07970689
CAS RN 165967-62-4
C_ID C00027973 ,
InChIKey DGEILRLBRKVUDN-UHFFFAOYSA-N
InChICode InChI=1S/C16H12N2O4/c1-21-11-7-17-8-3-6-12(20)18-9-4-5-10(19)16(22-2)13(9)14(11)15(8)18/h3-7,19H,1-2H3
SMILES COc1c(O)ccc2c1c1c(OC)cnc3ccc(=O)n2c31
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea mollis var. tonkinensis Ref.
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