| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7Cl4NO2 |
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| Molecular Mass | 264.9231 |
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| SMILES | O=C(O)C1NC(Cl)C(Cl)C(Cl)C1Cl |
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| InChI Key | FWSASGUDEFNNTM-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesnitrogen mustard compoundsorganic oxidesorganochloridesorganopnictogen compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | carbonyl groupcarboxylic acidamino acidalkyl chlorideorganochloridenitrogen mustardorganohalogen compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidepiperidinecarboxylic acidpiperidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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