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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003896

(2R,3R)-6-[(Z)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Formula: C27H22O12  |  Mol. Weight: 538.50 g/mol

IUPAC: (2R,3R)-6-[(Z)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

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Overview

Molecular Formula C27H22O12
Molecular Weight 538.50 g/mol
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3=C(C=C2)OC(C(O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy