| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:09 UTC |
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| Update Date | 2025-03-21 18:04:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053139 |
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| Frequency | 93.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O3 |
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| Molecular Mass | 278.163 |
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| SMILES | NCCCCC(N=C(O)CCc1ccccc1)C(=O)O |
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| InChI Key | XARRSFQCHMDAKP-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 | amino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic 1,3-dipolar compoundamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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