| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:26 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | O=C(O)C(=O)C1CC1C(=O)O |
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| InChI Key | PAODQWCJMIYZPZ-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativescarboxylic acidscyclopropanecarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidcyclopropanecarboxylic acid or derivativescarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundalpha-keto acidaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativecyclopropanecarboxylic acidorganooxygen compound |
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