PCIDB

KNApSAcK Metabolite C00007834

Metabolite

KNApSAcK Entry

id C00007834
Name 11-(Methylsulfinyl)undecyl glucosinolate
CAS RN
Standard InChI InChI=1S/C19H37NO10S3/c1-32(25)12-10-8-6-4-2-3-5-7-9-11-15(20-30-33(26,27)28)31-19-18(24)17(23)16(22)14(13-21)29-19/h14,16-19,21-24H,2-13H2,1H3,(H,26,27,28)/b20-15-/t14?,16-,17?,18+,19+,32?/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H37NO10S3/c1-32(25)12-10-8-6-4-2-3-5-7-9-11-15(20-30-33(26,27)28)31-19-18(24)17(23)16(22)14(13-21)29-19/h14,16-19,21-24H,2-13H2,1H3,(H,26,27,28)

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