| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:44 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O4S |
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| Molecular Mass | 336.1144 |
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| SMILES | COc1cc(CC(=O)CCC2SCC3NC(=O)NC32)ccc1O |
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| InChI Key | BQRURRIOYLFGBX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsdialkylthioethershydrocarbon derivativesimidazolidinonesketonesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinephenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherthiopheneketoneimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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