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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019745

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

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

IUPAC: (E)-3-[4-[1,3-dihydroxy-1-(3-methoxy-4-sulfooxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid

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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)OS(=O)(=O)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy