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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037414

(2R)-2-[(1R,2R,3R,4R)-2-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

Formula: C36H32O16  |  Mol. Weight: 720.60 g/mol

IUPAC: (2R)-2-[(1R,2R,3R,4R)-2-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

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Overview

Molecular Formula C36H32O16
Molecular Weight 720.60 g/mol
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(C2C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy