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- ChemComp-O9T: 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: O9T
NameName: 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one

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Chemical information

Composition
Formula: C16H12O4 / Number of atoms: 32 / Formula weight: 268.264 / Formal charge: 0
Others

6y5c

Type: non-polymer / PDB classification: HETAIN / Three letter code: O9T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y5C
History
Create componentFeb 25, 2020
Initial releaseAug 19, 2020
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Cc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

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InChI

InChI 1.03InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3

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InChIKey

InChI 1.03PXFZXOXUQVAZOV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6y5c:
The crystal structure of glycogen phosphorylase in complex with 52

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