| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:19 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4S |
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| Molecular Mass | 176.0143 |
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| SMILES | O=C1CCC(C(S)C(=O)O)O1 |
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| InChI Key | RUUSLMONMZRGPF-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 esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofuranorganosulfur compoundcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativealkylthiolorganooxygen compound |
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