| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:36 UTC |
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| Update Date | 2025-03-21 18:35:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104477 |
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| Frequency | 25.9 |
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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)O)C(=O)c1c[nH]c2ccccc12 |
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| InChI Key | WSMVDKAQGQSMBA-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 | beta amino acids and derivatives |
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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 compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundindole or derivativesbeta amino acid or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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