| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:14 UTC |
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| Update Date | 2025-03-21 18:41:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134579 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C11H16O9 |
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| Molecular Mass | 292.0794 |
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| SMILES | CC(C(=O)O)C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | ZBEYSCIRYJXGPA-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 | 1,3-dicarbonyl compoundsalpha hydroxy acids and derivativescarboxylic acid esterscarboxylic acidscyclohexanolshydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanoltricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundquinic acid |
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