| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:53 UTC |
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| Update Date | 2025-03-21 18:38:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122113 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CC1(O)CC(=O)OC1C(O)CO |
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| InChI Key | YDMAAYLKBQTNIC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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