PCIDB

KNApSAcK Metabolite C00007822

Metabolite

KNApSAcK Entry

id C00007822
Name 2-(4-Methoxyphenyl)-2-hydroxyethyl glucosinolate
CAS RN
Standard InChI InChI=1S/C16H23NO11S2/c1-26-9-4-2-8(3-5-9)10(19)6-12(17-28-30(23,24)25)29-16-15(22)14(21)13(20)11(7-18)27-16/h2-5,10-11,13-16,18-22H,6-7H2,1H3,(H,23,24,25)/b17-12-/t10?,11?,13-,14?,15+,16+/m0/s1
Standard InChI (Main Layer) InChI=1S/C16H23NO11S2/c1-26-9-4-2-8(3-5-9)10(19)6-12(17-28-30(23,24)25)29-16-15(22)14(21)13(20)11(7-18)27-16/h2-5,10-11,13-16,18-22H,6-7H2,1H3,(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