| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:04:48 UTC |
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| Update Date | 2025-03-25 00:33:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02073440 |
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| Frequency | 0.6 |
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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 | CC(=O)C1=CC(=O)CCN1 |
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| InChI Key | DCTLZYUUDQEVOK-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 | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | tetrahydropyridines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminecarbonyl groupazacycletetrahydropyridinecyclic ketonesecondary amineketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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