| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:18 UTC |
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| Update Date | 2025-03-21 17:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002162 |
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| Frequency | 2816.0 |
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| Structure | |
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| Chemical Formula | C9H16O2S2 |
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| Molecular Mass | 220.0592 |
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| SMILES | O=C(O)CCCCCC1CCSS1 |
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| InChI Key | VBTNABAOJVZGII-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivative1,2-dithiolaneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidealiphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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