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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000398

Methyl 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate

Formula: C22H12O13  |  Mol. Weight: 484.30 g/mol

IUPAC: methyl 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate

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Overview

Molecular Formula C22H12O13
Molecular Weight 484.30 g/mol
Canonical SMILES COC(=O)C1=CC(=C(C(=C1C2=C(C(=C3C4=C2C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy