| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:27 UTC |
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| Update Date | 2025-03-21 18:29:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075210 |
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| Frequency | 39.3 |
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| Structure | |
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| Chemical Formula | C12H18N2O4S |
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| Molecular Mass | 286.0987 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
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| InChI Key | FHJOMNWSFGPGKH-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 | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonyl compoundshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organosulfonic acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenebenzenesulfonyl groupnitroaromatic compoundbenzenesulfonamideaminosulfonyl compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic hyponitrite |
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