input word = C00002146

Metabolite InformationStructural formula
Name Casimiroine
Casimiroin
Formula C12H11NO4
Mw 233.06880785
CAS RN 477-89-4
C_ID C00002146 ,
InChIKey DPXXJCMMMXZVSW-UHFFFAOYSA-N
InChICode InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
SMILES c1c2c(c3c(c1)c(cc(=O)n3C)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCasimiroa edulis Ref.
PlantaeRutaceaeCasimiroa pubescena Ref.
PlantaeRutaceaeDictyoloma vandellianum Ref.
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