| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O6 |
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| Molecular Mass | 214.0477 |
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| SMILES | O=C(O)CC1=CCC(O)(C(=O)O)CC1=O |
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| InChI Key | MRDUMSZMOBXTRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcyclohexenonecarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidealiphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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