| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:21 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7Cl2NO4 |
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| Molecular Mass | 262.9752 |
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| SMILES | NC(C(=O)O)C(=O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | QMJPRBBGZJXIBU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsaryl chloridescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenealpha-amino acid esteraryl halidearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundhalobenzenephenoxy compoundorganooxygen compound |
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