| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:55 UTC |
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| Update Date | 2025-03-21 18:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026459 |
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| Frequency | 144.6 |
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| Structure | |
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| Chemical Formula | C14H19NO4S |
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| Molecular Mass | 297.1035 |
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| SMILES | CSCCC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | BBHJGLORMSATTA-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethionine and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminearomatic homomonocyclic compoundthia fatty acidphenylalanine or derivativesorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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