| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:59 UTC |
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| Update Date | 2025-03-21 18:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026629 |
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| Frequency | 143.4 |
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| Structure | |
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| Chemical Formula | C11H12N2O2S |
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| Molecular Mass | 236.0619 |
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| SMILES | NC(CSc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | NJIQHYIREUHZJI-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidindolealkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativespyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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