| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:25 UTC |
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| Update Date | 2025-03-21 18:32:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089352 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C12H20N2O4S |
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| Molecular Mass | 288.1144 |
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| SMILES | O=C(O)CC(O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | NOKUBTWQSNMGIR-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidthiophenecarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundimidazolidinonebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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