| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:43 UTC |
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| Update Date | 2025-03-21 18:32:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090060 |
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| Frequency | 31.3 |
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| Structure | |
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| Chemical Formula | C7H10O5 |
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| Molecular Mass | 174.0528 |
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| SMILES | O=C(O)C1CC(O)C(O)CC1=O |
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| InChI Key | KXTCLKIYFPYMKG-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 | 1,3-dicarbonyl compounds |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscarboxylic acidscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarboxylic acidcyclic ketonecyclic alcoholcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound1,2-diol |
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