| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:01 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162462 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6O7 |
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| Molecular Mass | 178.0114 |
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| SMILES | O=C(O)CC(C(=O)O)C(=O)OO |
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| InChI Key | IBTOKTZKCWZSNW-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 | 1,3-dicarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidhydroperoxidetricarboxylic acid or derivativesperoxolorganic oxideorganic oxygen compoundperoxycarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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