| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:18 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154234 |
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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 | COc1cc(CNCCCCC(NC(C)=O)C(=O)O)ccc1O |
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| InChI Key | AHIWPSUIDKVSIR-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalkyl aryl ethersalpha amino acidsamino acidsamino fatty acidsanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl ethermedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidacetamidesecondary aliphatic aminen-acyl-alpha-amino acidsecondary aminecarboxamide groupamino fatty acidmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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