| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:49 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047715 |
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| Frequency | 69.7 |
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| Structure | |
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| Chemical Formula | C12H16N2O2 |
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| Molecular Mass | 220.1212 |
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| SMILES | CC(=O)NCCCC(=O)c1ccccc1N |
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| InChI Key | RZWSMOGFDHEIMC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidecarboxamide groupbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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