PCIDB

KNApSAcK Metabolite C00007863

Metabolite

KNApSAcK Entry

id C00007863
Name 3,4,5-Trimethoxybenzyl glucosinolate
CAS RN 32214-77-0
Standard InChI InChI=1S/C17H25NO12S2/c1-26-9-4-8(5-10(27-2)16(9)28-3)6-12(18-30-32(23,24)25)31-17-15(22)14(21)13(20)11(7-19)29-17/h4-5,11,13-15,17,19-22H,6-7H2,1-3H3,(H,23,24,25)/b18-12-/t11?,13-,14?,15+,17+/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H25NO12S2/c1-26-9-4-8(5-10(27-2)16(9)28-3)6-12(18-30-32(23,24)25)31-17-15(22)14(21)13(20)11(7-19)29-17/h4-5,11,13-15,17,19-22H,6-7H2,1-3H3,(H,23,24,25)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN