input word = C00007818

Metabolite InformationStructural formula
Name 2-Methoxybenzyl glucosinolate
Formula C15H21NO10S2
Mw 439.06068736
CAS RN
C_ID C00007818 ,
InChIKey IIOYXKCQTIIJEU-OWMNFUGINA-N
InChICode InChI=1S/C15H21NO10S2/c1-24-9-5-3-2-4-8(9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15-/m1/s1
SMILES O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N/OS(=O)(=O)O)/Cc1ccccc1OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeLepidium graminifolium Ref.
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