| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:10 UTC |
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| Update Date | 2025-03-25 00:55:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO3S |
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| Molecular Mass | 263.0616 |
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| SMILES | CC(=O)NC(Cc1scc2ccccc12)C(=O)O |
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| InChI Key | LTFDZYSFANTPOU-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzothiophenesacetamidesalpha amino acidsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acid2-benzothiophenethiopheneorganic oxidebenzothiophenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamiden-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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