| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:01 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O9 |
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| Molecular Mass | 306.0951 |
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| SMILES | CC(C)C(=O)OC1(C(=O)O)CC(O)C(O)C(O)(C(=O)O)C1 |
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| InChI Key | UOSMQQUJECFSJX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolshydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanoltricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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