| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:22 UTC |
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| Update Date | 2025-03-21 18:38:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120846 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C8H11NO2S |
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| Molecular Mass | 185.051 |
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| SMILES | CNC(Cc1cccs1)C(=O)O |
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| InChI Key | OPSHXRJYPVSUEF-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiophenes |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheteroaromatic compoundthiophenesecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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