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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032601

[(2R,3S,4S,5R,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C23H22O12  |  Mol. Weight: 490.40 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C23H22O12
Molecular Weight 490.40 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)O)O)O3)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy