| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:47 UTC |
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| Update Date | 2025-03-21 18:41:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133597 |
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| Frequency | 18.9 |
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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 | O=C(O)CC=C(CCC(=O)O)CC(=O)O |
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| InChI Key | AYGVAJXZYFWMSW-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 acidshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundhydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
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