PCIDB

KNApSAcK Metabolite C00007845

Metabolite

KNApSAcK Entry

id C00007845
Name 9-Methylthiononyl glucosinolate
CAS RN 81149-01-1
Standard InChI InChI=1S/C17H33NO9S3/c1-28-10-8-6-4-2-3-5-7-9-13(18-27-30(23,24)25)29-17-16(22)15(21)14(20)12(11-19)26-17/h12,14-17,19-22H,2-11H2,1H3,(H,23,24,25)/b18-13-/t12?,14-,15?,16+,17+/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H33NO9S3/c1-28-10-8-6-4-2-3-5-7-9-13(18-27-30(23,24)25)29-17-16(22)15(21)14(20)12(11-19)26-17/h12,14-17,19-22H,2-11H2,1H3,(H,23,24,25)

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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