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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011561

(1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid

Formula: C27H24O14  |  Mol. Weight: 572.50 g/mol

IUPAC: (1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid

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Overview

Molecular Formula C27H24O14
Molecular Weight 572.50 g/mol
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(C(C(C2C(=O)O)C(=O)O)C3=CC(=C(C=C3)O)O)C(=O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy