| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:35 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133130 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C7H10O4S |
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| Molecular Mass | 190.03 |
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| SMILES | O=C(O)CSCC1CCC(=O)O1 |
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| InChI Key | WPCCSWDYAOUIPB-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 esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundtetrahydrofurandialkylthioetherorganosulfur compoundcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundthioethercarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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