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Yorodumi- ChemComp-3DQ: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyc... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3DQ |
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Name | Name: ( |
-Chemical information
Composition | Formula: C15H18O7 / Number of atoms: 40 / Formula weight: 310.299 / Formal charge: 0 | ||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 3DQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4B6O / Replaces: 9ZT | ||||||||||
History |
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External links | UniChem / ChemSpider / Brenda / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | ( | |
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