input word = C00007863

Metabolite InformationStructural formula
Name 3,4,5-Trimethoxybenzyl glucosinolate
Formula C17H25NO12S2
Mw 499.08181673
CAS RN 32214-77-0
C_ID C00007863 ,
InChIKey MFHPGRSZZURBST-GYQOYNCWNA-N
InChICode InChI=1S/C17H25NO12S2/c1-26-9-4-8(5-10(27-2)16(9)28-3)6-12(18-30-32(23,24)25)31-17-15(22)14(21)13(20)11(7-19)29-17/h4-5,11,13-15,17,19-22H,6-7H2,1-3H3,(H,23,24,25)/b18-12+/t11-,13-,14+,15-,17-/m1/s1
SMILES COc1cc(C/C(=N/OS(=O)(=O)O)S[C@H]2OC(CO)[C@H](O)C(O)[C@H]2O)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCoronopus squamatus Ref.
PlantaeCruciferaeLepidium graminifolium Ref.
PlantaeCruciferaeLepidium hyssopifolium Ref.
PlantaeCruciferaeLepidium sordidum Ref.
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