| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:40 UTC |
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| Update Date | 2025-03-25 01:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO4 |
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| Molecular Mass | 253.1314 |
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| SMILES | CC(N)(CCCC(=O)O)Cc1ccc(O)c(O)c1 |
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| InChI Key | WITDCQIFBHKBSM-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino fatty acidsamphetamines and derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidamphetamine or derivatives1-hydroxy-4-unsubstituted benzenoidamino fatty acidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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