| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:49 UTC |
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| Update Date | 2025-03-21 18:33:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097636 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C12H18O12 |
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| Molecular Mass | 354.0798 |
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| SMILES | O=C(O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)CC1O |
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| InChI Key | PKWFQZSVXUECQV-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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