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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023816

Theaflavate B

Formula: C36H28O15  |  Mol. Weight: 700.60 g/mol

IUPAC: [2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylate

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Overview

Molecular Formula C36H28O15
Molecular Weight 700.60 g/mol
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C(=O)OC5CC6=CC(=C(C=C6OC5C7=CC(=C(C=C7)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy