Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 07:19:31 UTC |
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Update Date | 2025-03-24 20:01:00 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01104671 |
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Frequency | 1.2 |
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Structure | |
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Chemical Formula | C4H6O2S |
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Molecular Mass | 118.0088 |
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SMILES | O=C1CC(S)CO1 |
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InChI Key | JVCXMTHBRFJGTA-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 | alkylthiolscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundstetrahydrofurans |
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Substituents | carbonyl grouptetrahydrofuranorganosulfur compoundcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativealkylthiolorganooxygen compound |
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