input word = C00026445

Metabolite InformationStructural formula
Name Isokokusagine
Formula C13H9NO4
Mw 243.05315778
CAS RN 477-41-8
C_ID C00026445 ,
InChIKey NHZPBGFQJJMRDM-UHFFFAOYSA-N
InChICode InChI=1S/C13H9NO4/c1-14-10-7(2-3-9-12(10)18-6-17-9)11(15)8-4-5-16-13(8)14/h2-5H,6H2,1H3
SMILES c12c(ccc3c1n(c1c(c3=O)cco1)C)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAlmeidea rubra Ref.
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