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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037382

(2S,3R,4S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

Formula: C25H20O13  |  Mol. Weight: 528.40 g/mol

IUPAC: (2S,3R,4S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

Overview

Molecular Formula C25H20O13
Molecular Weight 528.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)OC2C=C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)C(=O)O)C(=O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy