PCIDB

KNApSAcK Metabolite C00007849

Metabolite

KNApSAcK Entry

id C00007849
Name Gluconorcappasalin / 5-Oxoheptyl glucosinolate
CAS RN 20016-82-4
Standard InChI InChI=1S/C14H25NO10S2/c1-2-8(17)5-3-4-6-10(15-25-27(21,22)23)26-14-13(20)12(19)11(18)9(7-16)24-14/h9,11-14,16,18-20H,2-7H2,1H3,(H,21,22,23)/b15-10-/t9?,11-,12?,13+,14+/m0/s1
Standard InChI (Main Layer) InChI=1S/C14H25NO10S2/c1-2-8(17)5-3-4-6-10(15-25-27(21,22)23)26-14-13(20)12(19)11(18)9(7-16)24-14/h9,11-14,16,18-20H,2-7H2,1H3,(H,21,22,23)

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