| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:50 UTC |
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| Update Date | 2025-03-21 18:35:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107519 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C12H12N2O3 |
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| Molecular Mass | 232.0848 |
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| SMILES | Cn1cc(C(=O)NCC(=O)O)c2ccccc21 |
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| InChI Key | PIAGXEFMNMLVDV-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolecarboxamides and derivativesindolesmonocarboxylic acids and derivativesn-alkylindolesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl groupn-methylpyrrolen-alkylindoleindolecarboxamide derivativecarboxylic acidpyrrole-3-carboxylic acid or derivativesindolesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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