input word = C00059358

Metabolite InformationStructural formula
Name 6-Benzoyloxyhexyl glucosinolate
Formula C20H29NO11S2
Mw 523.11820224
CAS RN 118609-03-3
C_ID C00059358
InChIKey QIBOPMXUEOAUEK-NWDGLCLDSA-N
InChICode InChI=1S/C20H29NO11S2/c22-12-14-16(23)17(24)18(25)20(31-14)33-15(21-32-34(27,28)29)10-6-1-2-7-11-30-19(26)13-8-4-3-5-9-13/h3-5,8-9,14,16-18,20,22-25H,1-2,6-7,10-12H2,(H,27,28,29)/t14-,16-,17+,18-,20+/m1/s1
SMILES O=C(OCCCCCCC(=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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