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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002524

Peonidin 3-(6''-malonyl-glucoside) 5-glucoside

Formula: C31H35O19+  |  Mol. Weight: 711.60 g/mol

IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

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Overview

Molecular Formula C31H35O19+
Molecular Weight 711.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy