| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:45 UTC |
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| Update Date | 2025-03-21 17:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014880 |
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| Frequency | 386.2 |
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| Structure | |
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| Chemical Formula | C14H19NO3S |
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| Molecular Mass | 281.1086 |
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| SMILES | CSCCC(N=C(O)CCc1ccccc1)C(=O)O |
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| InChI Key | KYHLUUHBVODNHU-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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