| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:11 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O5 |
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| Molecular Mass | 310.1529 |
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| SMILES | NC(CCCCNCC1(O)Cc2cccc(O)c2O1)C(=O)O |
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| InChI Key | DYKXVOFDMQEDCO-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsamino fatty acidsbenzenoidscarbonyl compoundscarboxylic acidscoumaransdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundcoumaransecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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