| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:38 UTC |
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| Update Date | 2025-03-21 18:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035251 |
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| Frequency | 101.3 |
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| Structure | |
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| Chemical Formula | C11H18N2O3S |
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| Molecular Mass | 258.1038 |
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| SMILES | COC(=O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | BHEWJAXNLVWPSC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | biotin and derivatives |
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| Subclass | biotin and derivatives |
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| Direct Parent | biotin and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdialkylthioethersfatty acid methyl estershydrocarbon derivativesimidazolidinonesmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidemethyl esterbiotin_derivativeorganonitrogen compoundorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioetherbiotinthienoimidazolidinefatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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