| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:32 UTC |
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| Update Date | 2025-03-21 18:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030199 |
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| Frequency | 123.2 |
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| Structure | |
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| Chemical Formula | C8H14O2S2 |
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| Molecular Mass | 206.0435 |
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| SMILES | O=C(O)CCCCC1SCCS1 |
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| InChI Key | GTDAKTDINLFTTL-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 | 1,3-dithiolanescarbonyl compoundscarboxylic acidsdialkylthioethersdithioacetalsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolanethioetheraliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidthioacetal1,3-dithiolaneorganoheterocyclic compoundorganooxygen compound |
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