| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:18 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O6S2 |
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| Molecular Mass | 336.0701 |
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| SMILES | O=C(O)CCCCCC1C2C(CS1(=O)=O)SCC2C(=O)O |
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| InChI Key | SHCWKJBORCEJIN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic oxidessulfonesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compoundsulfone |
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