| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:07 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187922 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | CC(=O)NCCCC(O)c1ccccc1C |
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| InChI Key | QMMQSNYVMUYFCT-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 | acetamidesaromatic alcoholscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestoluenes |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneacetamideorganooxygen compound |
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