| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:25 UTC |
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| Update Date | 2025-03-25 00:52:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195283 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O6 |
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| Molecular Mass | 220.0947 |
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| SMILES | CC1CCC(O)(C(=O)O)OC1C(O)CO |
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| InChI Key | NUWCYYHVLKMCDY-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | c-glucuronidealcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesalpha-hydroxy acidhydroxy acidcarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidemonocarboxylic acid or derivativespyranaliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound1,2-diol |
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