| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:55 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O3S |
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| Molecular Mass | 174.0351 |
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| SMILES | C=CCSC(C(C)=O)C(=O)O |
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| InChI Key | QOKJACCGVWYRPF-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 | 1,3-dicarbonyl compoundsallyl sulfur compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherallyl sulfur compoundshort-chain keto acidorganosulfur compoundcarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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