| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:10 UTC |
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| Update Date | 2025-03-21 18:38:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120349 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C11H11NO7 |
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| Molecular Mass | 269.0536 |
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| SMILES | O=C(O)CC(NC(=O)Oc1ccc(O)cc1)C(=O)O |
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| InChI Key | NDLFIKZADRMKDD-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidscarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarbamic acid esteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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