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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019213

4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(oxalooxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid

Formula: C23H18O14  |  Mol. Weight: 518.40 g/mol

IUPAC: 4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(oxalooxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid

Overview

Molecular Formula C23H18O14
Molecular Weight 518.40 g/mol
Canonical SMILES C1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC(=O)C(=O)O)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy