| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:39 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056584 |
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| Frequency | 56.3 |
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| Structure | |
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| Chemical Formula | C5H8O4S |
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| Molecular Mass | 164.0143 |
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| SMILES | O=C(O)C1SCC(O)C1O |
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| InChI Key | NCYREMDJTHWSKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthiolanes |
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| Substituents | thiolanealcoholcarbonyl groupcarboxylic aciddialkylthioethercarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound1,2-diol |
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