| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:45 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017005 |
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| Frequency | 249.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O2S |
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| Molecular Mass | 267.1041 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccccc1 |
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| InChI Key | LWIYQIFYEQOLOM-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | c-nitro compoundsdialkylaminesdialkylthioethershydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietysulfenyl compounddialkylthioetherallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundsecondary amineorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumamineorganic hyponitrite |
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