| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:38 UTC |
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| Update Date | 2025-03-21 18:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032831 |
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| Frequency | 111.0 |
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| Structure | |
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| Chemical Formula | C7H10O7 |
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| Molecular Mass | 206.0427 |
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| SMILES | CC(=O)OCC(O)(CC(=O)O)C(=O)O |
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| InChI Key | COQLMYPWKDSTOG-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 acid esterscarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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