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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013769

4-Galloylchlorogenic acid

Formula: C23H22O13  |  Mol. Weight: 506.40 g/mol

IUPAC: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C23H22O13
Molecular Weight 506.40 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy