| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:15 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO5S |
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| Molecular Mass | 229.0045 |
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| SMILES | O=C(O)C1=CC(=O)C2SCC(C(=O)O)N12 |
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| InChI Key | LPTXRNPQWJORGN-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesenamineshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidsthiazolidinesthiohemiaminal derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidketonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycledialkylthioetherpyrroline carboxylic acid or derivativespyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundenaminethiazolidine |
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