| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:54 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157767 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4S |
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| Molecular Mass | 204.0456 |
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| SMILES | O=C(O)CCCC=CC(S)C(=O)O |
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| InChI Key | COJPIXGUMHPQFV-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 acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidalkylthiolorganooxygen compound |
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