| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:19 UTC |
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| Update Date | 2025-03-21 18:03:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041650 |
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| Frequency | 82.4 |
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| Structure | |
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| Chemical Formula | C7H8NO4PS2 |
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| Molecular Mass | 264.9632 |
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| SMILES | COP(=S)(S)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | PBDLFJBWQFCNRY-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 | hydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphosphorodithioic acid o,o-diesterspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compounddithiophosphate o-esterorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumphenoxy compoundphosphorodithioic acid o,o-diesterorganic dithiophosphateorganooxygen compoundorganic hyponitritenitrobenzene |
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