| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:35 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099480 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C11H11NO2S |
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| Molecular Mass | 221.051 |
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| SMILES | NC(Cc1csc2ccccc12)C(=O)O |
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| InChI Key | GAUUPDQWKHTCAX-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiophenesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiophenes |
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| Substituents | carbonyl groupcarboxylic acidheteroaromatic compoundthiopheneorganic oxidemonocarboxylic acid or derivativesbenzothiopheneorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiopheneorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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