| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:05 UTC |
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| Update Date | 2025-03-21 18:29:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079206 |
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| Frequency | 36.9 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | O=C(O)C1CNC1Cc1ccccc1 |
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| InChI Key | NZCIYQZCRLSXSQ-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 | azetidines |
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| Subclass | azetidinecarboxylic acids or derivatives |
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| Direct Parent | azetidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupsecondary aliphatic aminecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidazacycleazetidinecarboxylic acidcarboxylic acid derivativesecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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