| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:17:35 UTC |
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| Update Date | 2025-03-21 18:35:12 UTC |
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| HMDB ID | HMDB0129102 |
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| Metabolite Identification |
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| DeepMet ID | DMID00104412 |
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| Name | 3,4,5-trihydroxy-6-{[(2E)-2-methylbut-2-enoyl]oxy}oxane-2-carboxylic acid |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C11H16O8 |
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| Molecular Mass | 276.0845 |
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| SMILES | CC=C(C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | LQJTWDOUFKWSHC-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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