| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:56:48 UTC |
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| Update Date | 2025-03-24 20:32:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01481904 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | C=CC=CC(=O)OC(C)=O |
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| InChI Key | ZURIFIAOQSNAET-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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