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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009575

(1R,3S,4S,5R)-3-[(E)-4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Formula: C17H20O8  |  Mol. Weight: 352.30 g/mol

IUPAC: (1R,3S,4S,5R)-3-[(E)-4-(3,4-dihydroxyphenyl)-2-oxobut-3-enyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C17H20O8
Molecular Weight 352.30 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)O)O)O)CC(=O)C=CC2=CC(=C(C=C2)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy