input word = C00007358

Metabolite InformationStructural formula
Name Glucomalcomiin
3-Benzoyloxypropyl glucosinolate
Formula C17H23NO11S2
Mw 481.07125205
CAS RN 75331-11-2
C_ID C00007358 ,
InChIKey CGAALQATDWOQFD-QPGBQERMNA-N
InChICode InChI=1S/C17H23NO11S2/c19-9-11-13(20)14(21)15(22)17(28-11)30-12(18-29-31(24,25)26)7-4-8-27-16(23)10-5-2-1-3-6-10/h1-3,5-6,11,13-15,17,19-22H,4,7-9H2,(H,24,25,26)/b18-12-/t11-,13-,14+,15-,17+/m1/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)S/C(=N\OS(=O)(=O)O)/CCCOC(=O)c1ccccc1)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
--Malcomia maritima Ref.
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