| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:01 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171649 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O3 |
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| Molecular Mass | 252.1474 |
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| SMILES | CN(CCCCC(N)C(=O)O)c1ccccc1O |
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| InChI Key | YFZSVCOKRXULPY-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsamino fatty acidsaniline and substituted anilinescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundso-aminophenols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty aciddialkylarylaminetertiary amineaniline or substituted anilinesaminophenol1-hydroxy-4-unsubstituted benzenoidamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundo-aminophenolamineorganooxygen compound |
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