| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:05 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176413 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO5 |
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| Molecular Mass | 267.1107 |
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| SMILES | O=C(O)CCC(NCC(=O)O)C(O)c1ccccc1 |
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| InChI Key | KINZFKNIDGQJAQ-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaromatic alcoholsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesfatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminesecondary amineamino fatty acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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