| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:10 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188019 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O7S2 |
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| Molecular Mass | 309.9929 |
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| SMILES | CC(=O)Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1N |
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| InChI Key | JAFYCXYHXZLQNL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetamidesamino acids and derivativesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineamino acid or derivativesorganosulfonic acidn-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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