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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034883

alpha-Alectoronic acid

Formula: C28H32O9  |  Mol. Weight: 512.50 g/mol

IUPAC: 3,9-dihydroxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid

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Overview

Molecular Formula C28H32O9
Molecular Weight 512.50 g/mol
Canonical SMILES CCCCCC(=O)CC1=C2C(=CC(=C1)O)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy