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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008211

6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid

Formula: C20H22O11  |  Mol. Weight: 438.40 g/mol

IUPAC: 6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid

Overview

Molecular Formula C20H22O11
Molecular Weight 438.40 g/mol
Canonical SMILES C1=CC(C(C(=C1)O)C(=O)O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC=C(C=C3)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy