| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:38 UTC |
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| Update Date | 2025-03-25 01:00:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241563 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O5 |
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| Molecular Mass | 324.1685 |
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| SMILES | CC(CCNCC(O)COc1ccc(CC(N)=O)cc1)C(=O)O |
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| InChI Key | HJRLCPHGYHNNNF-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidgamma amino acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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