| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:03 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CCOC(=O)C1C(=O)CCCC1O |
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| InChI Key | XTMRBCUBRAUUTL-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcyclic ketonecyclic alcoholcarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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