input word = C00007797

Metabolite InformationStructural formula
Name 3,4-dihydroxybenzyl glucosinolate
Glucomatronalin
Formula C14H19NO11S2
Mw 441.03995192
CAS RN 31297-64-0
C_ID C00007797 ,
InChIKey IRWRWWWOVJHRSA-CEQIJTSBNA-N
InChICode InChI=1S/C14H19NO11S2/c16-5-9-11(19)12(20)13(21)14(25-9)27-10(15-26-28(22,23)24)4-6-1-2-7(17)8(18)3-6/h1-3,9,11-14,16-21H,4-5H2,(H,22,23,24)/b15-10+/t9-,11-,12-,13+,14+/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)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAkaniaceaeBretschneidera sinensis Ref.
PlantaeCruciferaeHesperis matronalis Ref.
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