| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7Cl3N2O4 |
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| Molecular Mass | 335.9471 |
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| SMILES | N#Cc1c(Cl)c(Cl)c(O)c(C(=O)CC(N)C(=O)O)c1Cl |
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| InChI Key | ZXOXQSLZGKKPBQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesaryl chloridesbenzonitrilesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshalophenolshydrocarbon derivativesm-chlorophenolsmonoalkylaminesmonocarboxylic acids and derivativesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsvinylogous acidsvinylogous halides |
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| Substituents | monocyclic benzene moietynitrilecarboxylic acidaryl alkyl ketoneorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolvinylogous halidebenzonitrilearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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