| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:10 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171956 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N4O5S2 |
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| Molecular Mass | 390.1032 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(NCCS(=O)(=O)O)cc1 |
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| InChI Key | UCPVXJCQEQHHDO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesc-nitro compoundsdialkylaminesdialkylthioethershydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssecondary alkylarylaminessulfenyl compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherphenylalkylaminehydrocarbon derivativebenzenoidorganic hyponitrite |
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