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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004977

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C22H20O13  |  Mol. Weight: 492.40 g/mol

IUPAC: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Overview

Molecular Formula C22H20O13
Molecular Weight 492.40 g/mol
Canonical SMILES COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy