| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:24 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | O=C(O)CN1C(=O)CCCc2ccccc21 |
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| InChI Key | SSZGBLVNQOUFFH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsazepinesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidazacyclealpha-amino acid or derivativescarboxamide groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundazepinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineorganooxygen compound |
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