PCIDB

KNApSAcK Metabolite C00007838

Metabolite

KNApSAcK Entry

id C00007838
Name 9-(Methylsulfonyl)nonyl glucosinolate
CAS RN
Standard InChI InChI=1S/C17H33NO11S3/c1-31(23,24)10-8-6-4-2-3-5-7-9-13(18-29-32(25,26)27)30-17-16(22)15(21)14(20)12(11-19)28-17/h12,14-17,19-22H,2-11H2,1H3,(H,25,26,27)/b18-13-/t12?,14-,15?,16+,17+/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H33NO11S3/c1-31(23,24)10-8-6-4-2-3-5-7-9-13(18-29-32(25,26)27)30-17-16(22)15(21)14(20)12(11-19)28-17/h12,14-17,19-22H,2-11H2,1H3,(H,25,26,27)

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