| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:56 UTC |
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| Update Date | 2025-03-21 18:03:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043180 |
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| Frequency | 78.8 |
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| Structure | |
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| Chemical Formula | C9H14O3S2 |
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| Molecular Mass | 234.0384 |
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| SMILES | O=C(O)C(=O)CCCCC1CCSS1 |
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| InChI Key | NSMPCIMMIXOMNC-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto 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 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 compounddithiolaneorganic disulfidealiphatic heteromonocyclic compoundalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundmedium-chain keto acid |
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