| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:43 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | CN(C)CCOc1ccc(C(N)C(=O)O)cc1 |
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| InChI Key | SIMMRQOCEFTJLQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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