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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007052

5-Demethylsimmondsin

Formula: C15H23NO9  |  Mol. Weight: 361.34 g/mol

IUPAC: (2Z)-2-[(2S,3S,4S,6R)-2,4-dihydroxy-3-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

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Overview

Molecular Formula C15H23NO9
Molecular Weight 361.34 g/mol
Canonical SMILES COC1C(CC(C(=CC#N)C1O)OC2C(C(C(C(O2)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy