| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:17 UTC |
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| Update Date | 2025-03-21 17:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004500 |
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| Frequency | 1248.7 |
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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 | NC(CC(=O)c1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | TVDZQDDRDANCNA-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 | aryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneindoleketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundindole or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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