| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:51 UTC |
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| Update Date | 2025-03-21 17:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019450 |
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| Frequency | 210.6 |
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| Structure | |
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| Chemical Formula | C14H17NO4S |
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| Molecular Mass | 295.0878 |
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| SMILES | CSCCC(NC(=O)C=Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | ZXMJEGMZUHQUGD-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | methionine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidshydroxycinnamic acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide grouphydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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