| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:10:42 UTC |
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| Update Date | 2025-03-21 22:11:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00510571 |
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| Frequency | 3.3 |
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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)C1CC2C=CN1C2 |
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| InChI Key | PXNQUFUWGXLZAY-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 compoundscarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidspyrrolinestetrahydropyridinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminetetrahydropyridinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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