| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:07 UTC |
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| Update Date | 2025-03-21 18:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095880 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C10H18O3S2 |
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| Molecular Mass | 250.0697 |
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| SMILES | O=C(O)CC(O)CCCCC1CCSS1 |
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| InChI Key | JSJVUYCVFBXRKX-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 | 1,2-dithiolanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic disulfidesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acid1,2-dithiolanebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidealiphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compound |
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