| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:23 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | COC(CC(=O)O)(C(=O)O)C(C)C(=O)O |
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| InChI Key | VGHSXYAWYXHRNF-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 | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxideethercarboxylic acidorganic oxygen compoundhydrocarbon derivativetricarboxylic acid or derivativesdialkyl etherorganooxygen compound |
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