| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO5 |
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| Molecular Mass | 213.0637 |
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| SMILES | NC(C(=O)O)C(=O)C1CCC(O)=CC1=O |
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| InChI Key | ZJJXQRBBVFAQMZ-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 | beta-diketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidscyclohexenoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | cyclohexenonebeta-hydroxy ketonecarbonyl groupcarboxylic acidcyclic ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compound1,3-diketoneorganooxygen compound |
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