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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025717

(1R,3R,4S,5R)-1,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid

Formula: C21H20O14  |  Mol. Weight: 496.40 g/mol

IUPAC: (1R,3R,4S,5R)-1,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid

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Overview

Molecular Formula C21H20O14
Molecular Weight 496.40 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy