| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:58 UTC |
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| Update Date | 2025-03-21 17:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024213 |
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| Frequency | 173.4 |
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| Structure | |
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| Chemical Formula | C13H12N2O5 |
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| Molecular Mass | 276.0746 |
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| SMILES | O=C(O)CC(NC(=O)c1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | COWWLTNHMMYTEH-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolecarboxamides and derivativesindolesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupindolecarboxamide derivativecarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesindolecarboxylic acid derivativevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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