| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:40 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO2S |
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| Molecular Mass | 223.0667 |
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| SMILES | O=C(O)CNC(=Cc1ccccc1)CS |
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| InChI Key | FWQBWGGEBNYGEP-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 | alkylthiolsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidsecondary amineorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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