| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:19 UTC |
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| Update Date | 2025-03-25 01:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240847 |
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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 | CC(C)C(=O)OC1CCC(=O)O1 |
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| InChI Key | MESCEYKFAWHDTO-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | acylals |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurangamma butyrolactonelactoneacylaloxacycleorganic oxideorganic oxygen compoundacetalaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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