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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008900

(1S,3R,4R,5R)-4-acetyloxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid

Formula: C18H20O10  |  Mol. Weight: 396.30 g/mol

IUPAC: (1S,3R,4R,5R)-4-acetyloxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C18H20O10
Molecular Weight 396.30 g/mol
Canonical SMILES CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy