Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:37:45 UTC |
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Update Date | 2025-03-21 17:57:48 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00010254 |
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Frequency | 462.2 |
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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 | O=C1CCC(C(O)C(O)CO)O1 |
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InChI Key | UUCZNBCOKXSKLU-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 derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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Substituents | alcoholcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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