input word = C00007820

Metabolite InformationStructural formula
Name 4-Methoxybenzyl glucosinolate
Glucoaubrietin
Formula C15H21NO10S2
Mw 439.06068736
CAS RN 499-27-4
C_ID C00007820 ,
InChIKey OYRNEHKPHKBUCL-OWMNFUGINA-N
InChICode InChI=1S/C15H21NO10S2/c1-24-9-4-2-8(3-5-9)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)/Cc1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeAubrietia deltoidea Ref.
PlantaeCruciferaeLepidium bonariense Ref.
PlantaeTropaeolaceaeTropaeolum cochabambae Ref.
PlantaeTropaeolaceaeTropaeolum majus Ref.
PlantaeTropaeolaceaeTropaeolum peregrinum Ref.
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OrganismTropaeolum peregrinum
ReferenceDaxenbichler,Phytochem.,30,(1991),2623