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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013477

Acetosellin

Formula: C23H22O6  |  Mol. Weight: 394.40 g/mol

IUPAC: (4S,9S)-15-[(1E,3E,5E)-hepta-1,3,5-trienyl]-13-hydroxy-4-(hydroxymethyl)-9-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12,14-tetraene-8,11-dione

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Overview

Molecular Formula C23H22O6
Molecular Weight 394.40 g/mol
Canonical SMILES CC=CC=CC=CC1=CC(=C2C3=C1C4=C(COC(C4)CO)C(=O)C3(OC2=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy