C21 H12 O6
F3U
4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl...Show more
Formula
Standard InChI
InChI=1S/C21H12O6/c22-10-11-1-4-14(21(25)26)17(7-11)20-15-5-2-12(23)8-18(15)27-19-9-13(24)3-6-16(19)20/h1-10,23H,(H,25,2...Show more
Standard InChI Key
CYKLSLGBUUWGRE-UHFFFAOYSA-N
SMILES
c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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