| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:37 UTC |
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| Update Date | 2025-03-21 17:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007562 |
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| Frequency | 665.3 |
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| Structure | |
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| Chemical Formula | C9H16O2S |
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| Molecular Mass | 188.0871 |
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| SMILES | O=C(O)CCCCC1CCCS1 |
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| InChI Key | QJMUTWVINYMOBD-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 | carbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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