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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004058

1-Caffeoylquinic acid

Formula: C16H18O9  |  Mol. Weight: 354.31 g/mol

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

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Overview

Molecular Formula C16H18O9
Molecular Weight 354.31 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy