| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:22 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO4 |
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| Molecular Mass | 267.1471 |
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| SMILES | O=C(O)CCCNCCCC(O)c1cccc(O)c1 |
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| InChI Key | QTUVPWMJEFIZMD-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminessecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidgamma amino acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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