| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:42 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 | DMID02168628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O7 |
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| Molecular Mass | 260.0896 |
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| SMILES | CC(C)C(=O)OC1C=C(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QOPKWOYQXYQRFP-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcyclitol or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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