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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019746

(2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid

Formula: C20H22O11S  |  Mol. Weight: 470.40 g/mol

IUPAC: (E)-3-[4-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-sulfooxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid

Overview

Molecular Formula C20H22O11S
Molecular Weight 470.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)O)OC(CO)C(C2=CC(=C(C=C2)O)OC)OS(=O)(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy