PCIDB

KNApSAcK Metabolite C00007788

Metabolite

KNApSAcK Entry

id C00007788
Name Glucoerypestrin / 3-Methoxycarbonylpropyl glucosinolate
CAS RN 27303-29-3
Standard InChI InChI=1S/C12H21NO11S2/c1-22-8(15)4-2-3-7(13-24-26(19,20)21)25-12-11(18)10(17)9(16)6(5-14)23-12/h6,9-12,14,16-18H,2-5H2,1H3,(H,19,20,21)/b13-7-/t6?,9-,10?,11+,12+/m0/s1
Standard InChI (Main Layer) InChI=1S/C12H21NO11S2/c1-22-8(15)4-2-3-7(13-24-26(19,20)21)25-12-11(18)10(17)9(16)6(5-14)23-12/h6,9-12,14,16-18H,2-5H2,1H3,(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

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CTD

By CAS RN