| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:24 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163347 |
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| Frequency | 0.5 |
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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 | O=C(O)C(=O)OC1CC(O)CC(O)(C(=O)O)C1 |
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| InChI Key | RPHJTHQAHZJQAX-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 homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolcyclitol or derivativestricarboxylic acid or derivativeshydroxy acidcyclic alcoholtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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