| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:18 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5 |
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| Molecular Mass | 268.1059 |
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| SMILES | Nc1ccc(O)cc1C(CCC(N)C(=O)O)C(=O)O |
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| InChI Key | HSUUXMOONMVABX-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 benzenoidsalpha amino acidsamino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylbutylamines |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidamino fatty acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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