PCIDB

KNApSAcK Metabolite C00001474

Metabolite

KNApSAcK Entry

id C00001474
Name Glucolepidiin / Ethyl glucosinolate
CAS RN 363599-81-9
Standard InChI InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)/b10-5-/t4?,6-,7?,8+,9+/m0/s1
Standard InChI (Main Layer) InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)

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