| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:14 UTC |
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| Update Date | 2025-03-21 18:34:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101087 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | CC(=O)NCCCC(=O)c1cccc(O)c1N |
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| InChI Key | CWPGCLAQKVRSDI-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesamino 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 derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amide1-hydroxy-4-unsubstituted benzenoidcarboxamide groupbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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