| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:40 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO5 |
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| Molecular Mass | 215.0794 |
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| SMILES | NC(C(=O)O)C(=O)C1(O)CC=CC(O)C1 |
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| InChI Key | HDHMBKVHSYHAOO-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 | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidbeta-keto acidketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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