| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:21 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234114 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | COC(=O)CC(O)C1CCC(=O)O1 |
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| InChI Key | IYUBOWIKDXIJKG-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdicarboxylic acids and derivativesfatty acid estersgamma butyrolactoneshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholfatty acylcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacyclefatty acid esterbeta-hydroxy acidorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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