PCIDB

KNApSAcK Metabolite C00007826

Metabolite

KNApSAcK Entry

id C00007826
Name Glucosisymbrin / 1-Methyl-2-hydroxyetyl glucosinolate
CAS RN 536-02-7
Standard InChI InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-9-/t4?,5?,6-,7?,8+,10+/m0/s1
Standard InChI (Main Layer) InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)

Cluster

Phytochemical cluster No. 76
KCF-S cluster No. 46

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN