| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:00 UTC |
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| Update Date | 2025-03-21 18:07:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066915 |
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| Frequency | 45.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O2 |
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| Molecular Mass | 222.1368 |
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| SMILES | NC(Cc1ccccc1)C(=O)NCCCO |
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| InChI Key | ZCSOJOPKYLDTED-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupalpha-amino acid amidefatty amidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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