| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:52 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O9 |
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| Molecular Mass | 306.0951 |
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| SMILES | CC(=O)OCC1OC(OC(C)=O)C(O)C(O)C1OC(C)=O |
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| InChI Key | ZKWQXWPNYXYUFE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupmonosaccharidetricarboxylic acid or derivativesoxacyclesaccharideorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound1,2-diol |
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