| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183893 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O3S |
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| Molecular Mass | 212.0256 |
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| SMILES | O=C1CNc2cc(S(=O)O)ccc2N1 |
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| InChI Key | BWWCNJGVDDYVHT-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary alkylarylaminessecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl grouplactamsulfinic acid derivativeorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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