| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:01 UTC |
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| Update Date | 2025-03-21 18:31:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088431 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C9H14O5S |
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| Molecular Mass | 234.0562 |
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| SMILES | O=C(O)CCCCC1=C(O)CCS1(=O)=O |
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| InChI Key | OVAXFGXOAGMMSY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiophenesfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessulfones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid2,3-dihydrothiopheneheterocyclic fatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compoundsulfone |
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