| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:07 UTC |
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| Update Date | 2025-03-25 00:48:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O8 |
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| Molecular Mass | 292.1158 |
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| SMILES | CCCCOC(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | NDQSEVGSWJLCJA-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 derivativescarbonic acid diesterscarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidalpha-hydroxy acidcarbonic acid diestercyclohexanolhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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