input word = C00036583

Metabolite InformationStructural formula
Name 4-Methoxybrassinin
Formula C12H14N2OS2
Mw 266.05475454
CAS RN 129602-03-5
C_ID C00036583 ,
InChIKey JVKOHVNWMQYCIN-UHFFFAOYSA-N
InChICode InChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)
SMILES c1cc(c2c(c1)[nH]cc2CNC(=S)SC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
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OrganismPseudomonas cichorii
ReferenceTakasugi, M. et al., Chem. Comm., 1986, 1077 (isol, synth, struct, deriv)