| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:28 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O4S |
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| Molecular Mass | 326.1049 |
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| SMILES | NC(CCCCNC1=NS(=O)(=O)c2ccccc2N1)C(=O)O |
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| InChI Key | ZLTZBHPPPMBXNZ-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsguanidinesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidguanidinefatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidemedium-chain fatty acidazacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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