| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:46 UTC |
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| Update Date | 2025-03-21 18:35:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107330 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C8H12O9 |
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| Molecular Mass | 252.0481 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(O)C1(O)C(=O)O |
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| InChI Key | RUQDYIZNTOBSTE-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 acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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