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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005184

Cyanidin 3-O-(6''-malonyl-3''-glucosyl-glucoside)

Formula: C30H33O19+  |  Mol. Weight: 697.60 g/mol

IUPAC: 3-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Overview

Molecular Formula C30H33O19+
Molecular Weight 697.60 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy