| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:40 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO7 |
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| Molecular Mass | 325.1162 |
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| SMILES | O=C(O)CCNC(=O)C(O)C(Cc1ccccc1)C(O)C(=O)O |
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| InChI Key | NAQIRTKELIENRH-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidemonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholhydroxy acidcarboxamide groupn-acyl-aminebeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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