| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:13 UTC |
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| Update Date | 2025-03-21 18:37:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115734 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C7H10O5 |
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| Molecular Mass | 174.0528 |
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| SMILES | O=C1CCC(C(=O)C(O)CO)O1 |
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| InChI Key | IARXTPYAXLDNDY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsbeta-hydroxy ketonescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | beta-hydroxy ketonealpha-acyloxy ketonemonosaccharidecarboxylic acid derivativeketonelactonesaccharideorganic oxidealiphatic heteromonocyclic compoundprimary alcoholorganoheterocyclic compound1,2-diolalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesacyloincarboxylic acid estersecondary alcoholhydrocarbon derivative |
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