input word = C00034922

Metabolite InformationStructural formula
Name 1-Methoxybrassitin
Methoxybrassitin
Formula C12H14N2O2S
Mw 250.07759844
CAS RN 113900-63-3
C_ID C00034922 ,
InChIKey BHXCFNZULGNWRA-UHFFFAOYSA-N
InChICode InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)
SMILES c1ccc2c(c1)n(cc2CNC(=O)SC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate Secologanin
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeBrassica campestris ssp.pekinensis Ref.
PlantaeCruciferaeBrassica oleracea var.botrytis Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sativus Ref.
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OrganismBrassica oleracea var.botrytis
ReferencePedras,Phytochem.,67,(2006),1503