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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035210

(E)-4-ethoxy-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobut-2-enoic acid

Formula: C18H18O11  |  Mol. Weight: 410.30 g/mol

IUPAC: (E)-4-ethoxy-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobut-2-enoic acid

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Overview

Molecular Formula C18H18O11
Molecular Weight 410.30 g/mol
Canonical SMILES CCOC(=O)C=C(C1C(OC(=O)C2=CC(=C(C(=C12)O)O)O)C(=O)OCC)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy