| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:16 UTC |
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| Update Date | 2025-03-25 00:55:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | CC(=O)N1CCc2cc(O)c(S(C)(=O)=O)cc21 |
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| InChI Key | JOJVUVSNHIMWSR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonestertiary carboxylic acid amides |
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| Substituents | carbonyl groupazacycleindole1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxamide groupcarboxylic acid derivativeorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compoundsulfone |
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