PCIDB

KNApSAcK Metabolite C00007804

Metabolite

KNApSAcK Entry

id C00007804
Name Glucolepigramin / 3-Hydorxybenzyl glucosinolate
CAS RN 59204-64-7
Standard InChI InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10-/t9?,11-,12?,13+,14+/m0/s1
Standard InChI (Main Layer) InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)

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