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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038541

[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)oxyhexyl] 3,4,5-trihydroxybenzoate

Formula: C20H22O14  |  Mol. Weight: 486.40 g/mol

IUPAC: [(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)oxyhexyl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C20H22O14
Molecular Weight 486.40 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(C(CO)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy