| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:48 UTC |
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| Update Date | 2025-03-21 18:35:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104962 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C9H12NO4PS2 |
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| Molecular Mass | 292.9945 |
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| SMILES | CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)SC |
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| InChI Key | MQOLRURCXZCDEW-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 | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | dithiophosphate o-estersdithiophosphate s-estershydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganothiophosphorus compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | allyl-type 1,3-dipolar organic compoundorganosulfur compounddithiophosphate o-esterorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganothiophosphorus compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganic dithiophosphatenitrobenzenenitroaromatic compoundsulfenyl compounddithiophosphate s-esterorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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