| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:23 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11ClN2O5 |
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| Molecular Mass | 310.0356 |
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| SMILES | O=C(O)C(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O |
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| InChI Key | NHGCJFYBXOTLOT-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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