| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:37 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O |
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| Molecular Mass | 215.1059 |
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| SMILES | N#Cc1ccc(C2CCC(N)C(=O)N2)cc1 |
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| InChI Key | OUMKWLGYPMLRPE-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 | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acids and derivativesdelta lactamshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinonessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilelactamaromatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonecarbonitrileazacyclecarboxamide groupbenzonitriledelta-lactamsecondary carboxylic acid amideorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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