| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O7 |
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| Molecular Mass | 216.027 |
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| SMILES | O=C(O)CC(O)=CC(=O)CC(=O)C(=O)O |
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| InChI Key | WBNOAUWELYAQGI-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 3-acylpyruvic acidsacryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesenoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | aliphatic acyclic compoundcarbonyl group3-acylpyruvic acidcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonevinylogous acidorganic oxideorganic oxygen compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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