| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:09 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O5S |
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| Molecular Mass | 248.0718 |
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| SMILES | O=C(O)CCCCC1CC(O)(C(=O)O)CS1 |
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| InChI Key | XQEYCXRGMLMXSS-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidestertiary alcoholsthiolanes |
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| Substituents | thiolanealcoholfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioetheralpha-hydroxy acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compound |
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