| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O7 |
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| Molecular Mass | 356.1584 |
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| SMILES | NC(CCCCNC(=O)C(O)C(O)Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | NPIRUIBGDNLTLD-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidmedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid1,2-diolalcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupamino fatty acidn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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