| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:58 UTC |
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| Update Date | 2025-03-21 17:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017499 |
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| Frequency | 241.0 |
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| Structure | |
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| Chemical Formula | C13H14N2O3S |
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| Molecular Mass | 278.0725 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)NC(CS)C(=O)O |
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| InChI Key | ZVVKJTBQKKDVMJ-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 | alkylthiolsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscysteine and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compound |
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