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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003038

3-O-Caffeoylshikimic acid

Formula: C16H16O8  |  Mol. Weight: 336.29 g/mol

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

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Overview

Molecular Formula C16H16O8
Molecular Weight 336.29 g/mol
Canonical SMILES C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy