PCIDB

KNApSAcK Metabolite C00001477

Metabolite

KNApSAcK Entry

id C00001477
Name Gluconapoleiferin / 2-Hydroxy-4-pentenyl glucosinolate
CAS RN 19764-03-5
Standard InChI InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/b13-8-/t6?,7?,9-,10?,11+,12+/m0/s1
Standard InChI (Main Layer) InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(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 C08416

CTD

By CAS RN