| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:58 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO7 |
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| Molecular Mass | 297.0849 |
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| SMILES | O=C(O)CCC(NC(C(=O)O)c1cccc(O)c1)C(=O)O |
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| InChI Key | QKQYGVANGPJNMR-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 | glutamic acid 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 benzenoidsalpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amineglutamic acid or derivatives1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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