+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0XR | ||
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Name | Name: Wikipedia | Wikipedia - Ethyl caffeate: Ethyl caffeate is an ester of a hydroxycinnamic acid, a naturally occurring organic compound.
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-Chemical information
Composition | Formula: C11H12O4 / Number of atoms: 27 / Formula weight: 208.211 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0XR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4GQQ | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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