PCIDB

KNApSAcK Metabolite C00007798

Metabolite

KNApSAcK Entry

id C00007798
Name 3,4-dimethoxybenzyl glucosinolate
CAS RN 88162-43-0
Standard InChI InChI=1S/C16H23NO11S2/c1-25-9-4-3-8(5-10(9)26-2)6-12(17-28-30(22,23)24)29-16-15(21)14(20)13(19)11(7-18)27-16/h3-5,11,13-16,18-21H,6-7H2,1-2H3,(H,22,23,24)/b17-12-/t11?,13-,14?,15+,16+/m0/s1
Standard InChI (Main Layer) InChI=1S/C16H23NO11S2/c1-25-9-4-3-8(5-10(9)26-2)6-12(17-28-30(22,23)24)29-16-15(21)14(20)13(19)11(7-18)27-16/h3-5,11,13-16,18-21H,6-7H2,1-2H3,(H,22,23,24)

Cluster

Phytochemical cluster No. 77
KCF-S cluster No. 158

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN