| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:25 UTC |
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| Update Date | 2025-03-21 18:33:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094208 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2 |
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| Molecular Mass | 179.0946 |
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| SMILES | NCC(=O)CCc1ccc(O)cc1 |
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| InChI Key | WMXSTKXECWFOTQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoidketonearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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