input word = C00007398

Metabolite InformationStructural formula
Name 3-Indolylmethyldesulfoglucosinolate
Formula C16H20N2O6S
Mw 368.10420712
CAS RN 43110-92-5
C_ID C00007398 ,
InChIKey CWNIQCOMWQROPA-RWRWQGAANA-N
InChICode InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16-/m1/s1
SMILES O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\O)/Cc1c2c([nH]c1)cccc2)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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