| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:21 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O7 |
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| Molecular Mass | 278.1366 |
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| SMILES | CC(C)CCOC1C(O)C(O)C(O)CC1(O)C(=O)O |
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| InChI Key | LFOOXVLVPDGYDK-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 derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativedialkyl ethertertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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