| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:15:44 UTC |
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| Update Date | 2025-03-24 14:15:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00807993 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | O=C(O)C1CC2CC=CN21 |
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| InChI Key | NPIDWGGKBHPZOW-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazepinesazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidaliphatic heteropolycyclic compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic amineazetidinemonocarboxylic acid or derivativesorganic oxygen compoundazepinepyrrolinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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