| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:42 UTC |
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| Update Date | 2025-03-25 00:47:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164038 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3S |
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| Molecular Mass | 172.0194 |
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| SMILES | CC1=C(C(=O)C(=O)O)CCS1 |
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| InChI Key | NOMWIDDSVJKXHX-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 | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidsdihydrothiopheneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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