| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163224 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O12 |
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| Molecular Mass | 368.0955 |
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| SMILES | O=C(O)C1C(O)C(O)C(O)C(OC2CC(O)(C(=O)O)OC2CO)C1O |
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| InChI Key | LZBZDIRRHQLTKK-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 | cyclohexanols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativesdialkyl ethersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidalpha-hydroxy acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundhemiacetalprimary alcoholorganoheterocyclic compoundtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycledicarboxylic acid or derivativeshydrocarbon derivative |
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