input word = C00036441

Metabolite InformationStructural formula
Name N-Methoxyspirobrassinol methyl ether
1-Methoxyspirobrassinol methyl ether
(-)-1-Methoxyspirobrassinol methyl ether
Formula C13H16N2O2S2
Mw 296.06531923
CAS RN 113866-41-4
C_ID C00036441 ,
InChIKey KJSKSCBVIGFOKZ-VEZULTJBNA-N
InChICode InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3/t11-,13+/m1/s1
SMILES c1ccc2c(c1)[C@]1([C@H](N2OC)OC)CN=C(S1)SC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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