| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:54 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O3 |
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| Molecular Mass | 256.0615 |
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| SMILES | Cc1cccc(Cl)c1NC(=O)CNCC(=O)O |
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| InChI Key | DDIGOLSAZDLZAB-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 amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganochloriden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetolueneorganooxygen compoundamine |
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