| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:42 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052116 |
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| Frequency | 62.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O2 |
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| Molecular Mass | 194.1055 |
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| SMILES | CC(N)CC(=O)c1cc(O)ccc1N |
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| InChI Key | AHDSQZGNRPCRJS-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 benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidemonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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