| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:15 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O5S |
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| Molecular Mass | 340.1093 |
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| SMILES | CSCCC(N=CNC(Cc1ccc(O)cc1)C(=O)O)C(=O)O |
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| InChI Key | GUXPSILDJLJGQF-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylsformamidineshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidamphetamine or derivativestyrosine or derivativessulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundformamidinethia fatty acidphenylalanine or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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