| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:17 UTC |
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| Update Date | 2025-03-21 17:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016010 |
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| Frequency | 269.0 |
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| Structure | |
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| Chemical Formula | C8H12O8 |
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| Molecular Mass | 236.0532 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(O)(C(=O)O)C1 |
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| InChI Key | XPPUHKINIHAGNU-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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