| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:35 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO7 |
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| Molecular Mass | 281.0536 |
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| SMILES | O=C(O)CC(C(=O)O)=C(Nc1ccc(O)cc1)C(=O)O |
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| InChI Key | WOZVGTOBIFKNCQ-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 acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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