| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:16 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218144 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22O13 |
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| Molecular Mass | 398.106 |
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| SMILES | COC(=O)C1C(O)C(O)C(O)C(O)C1OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | RMGQWZQCGNESOM-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 acidscyclitols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acids |
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| Substituents | carbonyl groupethercarboxylic acidglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidemethyl esteraliphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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