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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001388

(3Z)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one

Formula: C21H20O9  |  Mol. Weight: 416.40 g/mol

IUPAC: (3Z)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one

Overview

Molecular Formula C21H20O9
Molecular Weight 416.40 g/mol
Canonical SMILES C1=CC(=CC=C1C=C2C3=C(C(=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)O)OC2=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy