| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | CC(=O)OC(=O)C=C(C)C(=O)O |
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| InChI Key | IOBXJVFIPTVQJB-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundcarboxylic acid anhydridehydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
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