| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:16 UTC |
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| Update Date | 2025-03-21 18:38:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122961 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H12O6 |
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| Molecular Mass | 216.0634 |
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| SMILES | CC(=O)OC1C=C(C(=O)O)CC(O)C1O |
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| InChI Key | BPBKRKWVZQTXEZ-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcyclitol or derivativesorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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