| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:45 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193805 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12NO6PS |
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| Molecular Mass | 281.0123 |
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| SMILES | CCO[PH](=O)(O)(S)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | ARBVZOZEJMHHCX-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 derivativesmonoalkyl phosphatesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic phosphoric acids and derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundmonoalkyl phosphatec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumphenoxy compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundorganic hyponitritenitrobenzene |
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