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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001918

Ellagic acid acetyl-arabinoside

Formula: C21H16O13  |  Mol. Weight: 476.30 g/mol

IUPAC: [(3S,4R,5R,6S)-4,5-dihydroxy-6-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]oxan-3-yl] acetate

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Overview

Molecular Formula C21H16O13
Molecular Weight 476.30 g/mol
Canonical SMILES CC(=O)OC1COC(C(C1O)O)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy