| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:28 UTC |
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| Update Date | 2025-03-21 18:33:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096744 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C7H5NO4S |
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| Molecular Mass | 198.9939 |
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| SMILES | O=S1(=O)N=C(O)c2c(O)cccc21 |
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| InChI Key | XAPBTHFURNHTFN-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativesazacycle1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid1,2-benzothiazoleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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