| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:59 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045726 |
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| Frequency | 73.5 |
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| Structure | |
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| Chemical Formula | C6H8O7 |
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| Molecular Mass | 192.027 |
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| SMILES | O=C(O)CC(O)C(C(=O)O)C(=O)O |
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| InChI Key | PGRYGKZYFIQRNQ-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 compoundsbeta hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativeshydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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