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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019747

Glycosmisic acid 4'-sulfate

Formula: C20H20O10S  |  Mol. Weight: 452.40 g/mol

IUPAC: (E)-3-[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-sulfooxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid

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Overview

Molecular Formula C20H20O10S
Molecular Weight 452.40 g/mol
Canonical SMILES COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OS(=O)(=O)O)OC)C=CC(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy