| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:26 UTC |
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| Update Date | 2025-03-21 18:36:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108999 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C9H12O8 |
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| Molecular Mass | 248.0532 |
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| SMILES | COC(=O)CC(O)(CC(=O)OC(C)=O)C(=O)O |
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| InChI Key | UNAGFBFCWKQKGZ-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic 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 anhydridescarboxylic acidsfatty acid methyl estershydrocarbon derivativesmethyl estersorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtetracarboxylic acid or derivativeshydroxy acidfatty acid estertertiary alcoholorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid estercarboxylic acid anhydridehydrocarbon derivativeorganooxygen compound |
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