PCIDB

KNApSAcK Metabolite C00001481

Metabolite

KNApSAcK Entry

id C00001481
Name Glucoraphenin / 4-Methylsufinyl-3-butenyl glucosinolate
CAS RN 28463-24-3
Standard InChI InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8-/t7?,9-,10?,11+,12+,25?/m0/s1
Standard InChI (Main Layer) InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08420

CTD

By CAS RN