PCIDB

KNApSAcK Metabolite C00007806

Metabolite

KNApSAcK Entry

id C00007806
Name 3-Hydroxybutyl glucosinolate
CAS RN 35535-43-4
Standard InChI InChI=1S/C11H21NO10S2/c1-5(14)2-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h5-6,8-11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-7-/t5?,6?,8-,9?,10+,11+/m0/s1
Standard InChI (Main Layer) InChI=1S/C11H21NO10S2/c1-5(14)2-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h5-6,8-11,13-17H,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

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CTD

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