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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035820

4-Methylsulfonyl-3-butenyl glucosinolate

Formula: C12H21NO11S3  |  Mol. Weight: 451.50 g/mol

IUPAC: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E,1E)-5-methylsulfonyl-N-sulfooxypent-4-enimidothioate

Overview

Molecular Formula C12H21NO11S3
Molecular Weight 451.50 g/mol
Canonical SMILES CS(=O)(=O)C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy