| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:07 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190162 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | CC(=O)CCC(O)CC(=O)OC(C)=O |
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| InChI Key | YBORJPSQAMZWTD-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 acyclic compounds |
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| Alternative Parents | carboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeketonebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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