input word = C00034053

Metabolite InformationStructural formula
Name Methoxybrassenin B
Formula C13H14N2O2S2
Mw 294.04966917
CAS RN 142449-75-0
C_ID C00034053 ,
InChIKey NFGCTENDKLNJTI-UHFFFAOYSA-N
InChICode InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3
SMILES c1ccc2c(c1)n(cc2C(=O)N=C(SC)SC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeThellungiella halophila ecotype Shandong Ref.
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OrganismPseudomonas cichorii
ReferenceMonde, K. et al., Phytochemistry, 1991, 30, 3921-3922 (isol, uv, ir, pmr, cmr, ms, struct)