| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:06 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162655 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | O=C(CO)C1=CCC(O)C(O)C1 |
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| InChI Key | UIGIIXMHLDSGKK-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 | ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | ketonealcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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