| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:23 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | O=C(O)CCCN(CC(=O)O)c1ccc(O)cc1 |
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| InChI Key | KLFAJYWFCADVKH-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 benzenoidsamino acidsamino fatty acidsaniline and substituted anilinescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundsp-aminophenols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxidetertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty aciddialkylarylaminetertiary amineaniline or substituted anilinesaminophenolamino fatty acidaromatic homomonocyclic compoundorganic oxygen compoundp-aminophenoldicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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