| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:31 UTC |
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| Update Date | 2025-03-21 18:31:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084955 |
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| Frequency | 33.7 |
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| Structure | |
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| Chemical Formula | C7H6O7 |
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| Molecular Mass | 202.0114 |
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| SMILES | O=C(O)CC(=CC(=O)C(=O)O)C(=O)O |
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| InChI Key | POTZSFVTPSBXLW-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 | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsenoneshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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