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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015607

Chafuroside A

Formula: C21H18O9  |  Mol. Weight: 414.40 g/mol

IUPAC: (11S,13R,14S,15S,16S)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one

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Overview

Molecular Formula C21H18O9
Molecular Weight 414.40 g/mol
Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C4=C(C=C3O2)OC5C4OC(C(C5O)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy