| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:34 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N3O5S2 |
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| Molecular Mass | 355.0297 |
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| SMILES | O=S(=O)(O)c1cc2c(cc1Nc1ccccc1)NCNS2(=O)=O |
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| InChI Key | LTVPESIMKLPGMU-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 | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxide1-sulfo,2-unsubstituted aromatic compoundazacyclesecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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