| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:12 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO5 |
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| Molecular Mass | 309.1576 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCNCCC(=O)O)cc1 |
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| InChI Key | ZKQFXYYYRHKBGX-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminebeta amino acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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