PCIDB

KNApSAcK Metabolite C00007799

Metabolite

KNApSAcK Entry

id C00007799
Name Glucosisaustricin / 1-Ethyl-2-hydroxyethyl glucosinolate
CAS RN
Standard InChI InChI=1S/C11H21NO10S2/c1-2-5(3-13)10(12-22-24(18,19)20)23-11-9(17)8(16)7(15)6(4-14)21-11/h5-9,11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-10-/t5?,6?,7-,8?,9+,11+/m0/s1
Standard InChI (Main Layer) InChI=1S/C11H21NO10S2/c1-2-5(3-13)10(12-22-24(18,19)20)23-11-9(17)8(16)7(15)6(4-14)21-11/h5-9,11,13-17H,2-4H2,1H3,(H,18,19,20)

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