| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:41 UTC |
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| Update Date | 2025-03-25 00:55:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212203 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | C=CC1=C(C)C(=O)C(CC(=O)O)=C1CCC(=O)O |
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| InChI Key | CANWSEIZLUARIY-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 | carboxylic acidscyclic ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonecarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativecyclic ketoneorganooxygen compound |
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