| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24N2O3 |
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| Molecular Mass | 280.1787 |
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| SMILES | COc1ccc(NC(C)=O)c(C(O)CCCN(C)C)c1 |
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| InChI Key | HEBJSKWRRWTJSD-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 | acetamidesacetanilidesalkyl aryl ethersamino acids and derivativesanisolesaromatic alcoholscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amidestrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethern-acetylarylamineamino acid or derivativesn-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidealcoholacetanilidetertiary aliphatic aminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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