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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008625

(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-[(1R)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid

Formula: C27H22O11  |  Mol. Weight: 522.50 g/mol

IUPAC: (2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid

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Overview

Molecular Formula C27H22O11
Molecular Weight 522.50 g/mol
Canonical SMILES C1=CC(=CC=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy