| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:04 UTC |
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| Update Date | 2025-03-21 18:31:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086261 |
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| Frequency | 33.1 |
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| Structure | |
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| Chemical Formula | C9H14O4S2 |
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| Molecular Mass | 250.0334 |
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| SMILES | O=C(O)CCCCC1SSCC1C(=O)O |
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| InChI Key | ITOMGKABLFFWME-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dithiolanes |
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| Subclass | lipoic acids and derivatives |
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| Direct Parent | lipoic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic disulfidesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivative1,2-dithiolaneorganic oxideorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidlipoic_acid_derivativeorganooxygen compound |
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