| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:10 UTC |
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| Update Date | 2025-03-21 18:35:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103420 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C7H10O5S |
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| Molecular Mass | 206.0249 |
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| SMILES | O=C(O)CCC(=O)CSCC(=O)O |
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| InChI Key | JMUGLPBNUXHVIW-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethershort-chain keto acidorganosulfur compoundcarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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