| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:17 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181474 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O4S |
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| Molecular Mass | 220.0769 |
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| SMILES | O=C(O)CCCCC1CC(O)CS1=O |
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| InChI Key | AGBQGBBCRFRWNF-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 acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfinyl compoundssulfoxidesthiolanes |
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| Substituents | thiolanealcoholfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundaliphatic heteromonocyclic compoundsulfoxidesecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compound |
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