| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:57 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9ClN2O3 |
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| Molecular Mass | 276.0302 |
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| SMILES | O=C(O)C1=CC(=C2NCc3cc(Cl)ccc32)C(=O)N1 |
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| InChI Key | GLRCUJZKNRCINT-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolesisoindolineslactamsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspyrroline 2-carboxylic acidssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidorganochlorideorganohalogen compoundorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chloridevinylogous amidesecondary aliphatic amineazacycleisoindolepyrroline carboxylic acid or derivativessecondary aminecarboxamide grouppyrroline 2-carboxylic acidaryl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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