| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:13 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O5S |
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| Molecular Mass | 222.0562 |
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| SMILES | CSCC(CC(O)CC(=O)O)C(=O)O |
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| InChI Key | JVXSJKMRQVHBJF-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidessecondary alcoholssulfenyl compounds |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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