| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:38 UTC |
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| Update Date | 2025-03-25 01:00:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241579 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12ClNO3 |
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| Molecular Mass | 241.0506 |
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| SMILES | CC(CNC(=O)c1ccccc1Cl)C(=O)O |
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| InChI Key | OAENICGXQBZLAG-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivativesaryl chloridesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous halides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridebenzoylorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenebenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupvinylogous halidebeta amino acid or derivatives2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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