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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000717

Cimicifugia acid A

Formula: C21H20O11  |  Mol. Weight: 448.40 g/mol

IUPAC: (2S,3R)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid

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Overview

Molecular Formula C21H20O11
Molecular Weight 448.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)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