input word = C00026586

Metabolite InformationStructural formula
Name Isalexin
Formula C9H7NO3
Mw 177.0425931
CAS RN 108937-87-7
C_ID C00026586 ,
InChIKey LTERBHLYBWXCPT-UHFFFAOYSA-N
InChICode InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)8(11)9(12)10-5/h2-4H,1H3,(H,10,11,12)
SMILES c1ccc2c(c1OC)C(=O)C(=O)N2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus L.ssp.rapifera Ref.
PlantaeCruciferaeBrassica napus spp.rapifera Ref.
PlantaeCruciferaeBrassica oleracea var.botrytis Ref.
--Rapifera Ref.
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OrganismBrassica napus spp.rapifera
ReferencePedras,J.Org.Chem.,69,(2004),4471