| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:48 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O2S |
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| Molecular Mass | 276.0932 |
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| SMILES | Cc1cc2nccc(SCC(N)C(=O)O)c2cc1C |
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| InChI Key | DCXLYFPRQIKJSE-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 | 2-halopyridinesalkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesquinolines and derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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