| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:13 UTC |
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| Update Date | 2025-03-21 18:36:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108437 |
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| Frequency | 24.7 |
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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 | COC(=O)CCC1CCC(=O)O1 |
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| InChI Key | FXLHHDTWEYWBBO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacyclefatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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