input word = C00061202

Metabolite InformationStructural formula
Name p-Hydroxybenzyl glucosinolate
Formula C14H18NO10S2
Mw 424.03721226
CAS RN 27299-07-6
C_ID C00061202
InChIKey WWBNBPSEKLOHJU-LPUQOGTASA-M
InChICode InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/t9-,11-,12+,13-,14+/m1/s1
SMILES O=S(=O)([O-])ON=C(Cc1ccc(O)cc1)SC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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