| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:25 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | NC(CO)C(=O)CCc1ccc(O)cc1 |
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| InChI Key | LLKLZNNQZRFXAT-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 benzenoidsbeta-hydroxy ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonecarbonyl group1-hydroxy-2-unsubstituted benzenoidketonearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganooxygen compound |
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