| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:44 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202910 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O4S |
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| Molecular Mass | 294.0674 |
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| SMILES | O=C1NC2CSC(COC(=O)c3ccccc3O)C2N1 |
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| InChI Key | PKWKSOLKNSOLMQ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativesthienoimidazolidinesthiolanesthiophenesvinylogous acids |
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| Substituents | thiolaneimidazolidinecarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidthiophenecarboxylic acid derivativeimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioether1-hydroxy-4-unsubstituted benzenoidthienoimidazolidinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterthioethercarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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