| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221373 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | O=C(O)C1Cc2ccc(cc2)N1 |
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| InChI Key | XUHNYSOAYAVTBX-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 | amino acidsazacyclic compoundsazepinesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acidsecondary aminesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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