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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009216

Neobetanin

Formula: C24H24N2O13  |  Mol. Weight: 548.50 g/mol

IUPAC: 4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid

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Overview

Molecular Formula C24H24N2O13
Molecular Weight 548.50 g/mol
Canonical SMILES C1C(N(C2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C=CC4=CC(=NC(=C4)C(=O)O)C(=O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy