input word = C00059357

Metabolite InformationStructural formula
Name 5-Benzoyloxypentyl glucosinolate
Formula C19H27NO11S2
Mw 509.10255217
CAS RN 118609-02-2
C_ID C00059357
InChIKey LGEQIQASZQVYEB-YRHQEJDOSA-N
InChICode InChI=1S/C19H27NO11S2/c21-11-13-15(22)16(23)17(24)19(30-13)32-14(20-31-33(26,27)28)9-5-2-6-10-29-18(25)12-7-3-1-4-8-12/h1,3-4,7-8,13,15-17,19,21-24H,2,5-6,9-11H2,(H,26,27,28)/t13-,15-,16+,17-,19+/m1/s1
SMILES O=C(OCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
Referencehttps://doi.org/10.1016/S0031-9422(02)00014-6