input word = C00007798

Metabolite InformationStructural formula
Name 3,4-dimethoxybenzyl glucosinolate
Formula C16H23NO11S2
Mw 469.07125205
CAS RN 88162-43-0
C_ID C00007798 ,
InChIKey QSRPUECPQQYEBY-NSLPWGAENA-N
InChICode InChI=1S/C16H23NO11S2/c1-25-9-4-3-8(5-10(9)26-2)6-12(17-28-30(22,23)24)29-16-15(21)14(20)13(19)11(7-18)27-16/h3-5,11,13-16,18-21H,6-7H2,1-2H3,(H,22,23,24)/b17-12-/t11-,13+,14+,15+,16+/m0/s1
SMILES O[C@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/Cc1ccc(c(c1)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis inermis Ref.
PlantaeCruciferaeHeliophila longifolia Ref.
PlantaeCruciferaeLepidium graminifolium Ref.
PlantaeCruciferaeLepidium vesicarium Ref.
PlantaeCruciferaeMatthiola sinuata Ref.
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