| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:32 UTC |
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| Update Date | 2025-03-21 18:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030197 |
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| Frequency | 123.2 |
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| Structure | |
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| Chemical Formula | C7H10O6S |
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| Molecular Mass | 222.0198 |
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| SMILES | O=C(O)C(=O)CCSCC(O)C(=O)O |
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| InChI Key | OMPHZTXXASNYTR-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealpha-keto acidhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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