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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024391

3'-(6''-Galloylglucosyl)-phloroacetophenone

Formula: C21H22O13  |  Mol. Weight: 482.40 g/mol

IUPAC: [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C21H22O13
Molecular Weight 482.40 g/mol
Canonical SMILES CC(=O)C1=C(C=C(C(=C1O)C2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy