PCIDB

KNApSAcK Metabolite C00001471

Metabolite

KNApSAcK Entry

id C00001471
Name Glucoerysolin / 4-(Methylsulfonyl)butyl glucosinolate
CAS RN 22149-26-4
Standard InChI InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/b13-8-/t7?,9-,10?,11+,12+/m0/s1
Standard InChI (Main Layer) InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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