| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:57 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026536 |
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| Frequency | 143.9 |
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| Structure | |
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| Chemical Formula | C11H14N2O2 |
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| Molecular Mass | 206.1055 |
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| SMILES | CC(=O)NCCC(=O)c1ccc(N)cc1 |
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| InChI Key | WDOZQDIOLWQEHF-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 derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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