| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149159 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6O7 |
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| Molecular Mass | 202.0114 |
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| SMILES | O=C(O)C#CC(O)(CC(=O)O)C(=O)O |
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| InChI Key | PKAFISYLXYQVMN-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcoholsynones |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidynonetertiary alcoholorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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