| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:41 UTC |
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| Update Date | 2025-03-25 00:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168602 |
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| Frequency | 0.5 |
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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)=CC(=O)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | UKOFIDPOPUMNAO-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 | 1,2-diolscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic acidalpha,beta-unsaturated carboxylic esterorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativesoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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