| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:00 UTC |
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| Update Date | 2025-03-21 17:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006131 |
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| Frequency | 851.3 |
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| Structure | |
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| Chemical Formula | C7H12O7 |
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| Molecular Mass | 208.0583 |
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| SMILES | O=C(O)C1OC(CO)C(O)C(O)C1O |
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| InChI Key | MTNHERCZHBRCJQ-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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