| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:41 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059046 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C8H12O3S2 |
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| Molecular Mass | 220.0228 |
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| SMILES | O=C(O)C(=O)CCCC1CCSS1 |
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| InChI Key | QOQHANNFPMQOPY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dithiolanes |
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| Subclass | lipoic acids and derivatives |
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| Direct Parent | lipoic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy ketonecarboxylic acid derivative1,2-dithiolaneketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfideketo acidaliphatic heteromonocyclic compoundalpha-keto acidhydrocarbon derivativelipoic_acid_derivativeorganooxygen compoundmedium-chain keto acid |
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