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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000396

4-[[(Z)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid

Formula: C22H16O12  |  Mol. Weight: 472.40 g/mol

IUPAC: 4-[[(Z)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid

Overview

Molecular Formula C22H16O12
Molecular Weight 472.40 g/mol
Canonical SMILES CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C=CC(=O)O)O)C(=O)O)C)C=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy