| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:04 UTC |
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| Update Date | 2025-03-25 00:58:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231155 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23N3O4S |
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| Molecular Mass | 329.1409 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 |
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| InChI Key | YVHSHQVIBFHOEP-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 | benzenesulfonamides |
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| Direct Parent | aminobenzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaniline and substituted anilinesbenzenesulfonyl compoundsdialkylarylamineshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organosulfonic acid or derivativesaminobenzenesulfonamideallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic aminec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumdialkylarylaminetertiary aminenitrobenzenebenzenesulfonyl groupnitroaromatic compoundaminosulfonyl compoundaniline or substituted anilinesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganic hyponitrite |
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