| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:34 UTC |
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| Update Date | 2025-03-21 18:31:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085103 |
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| Frequency | 33.6 |
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| Structure | |
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| Chemical Formula | C7H8NO6P |
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| Molecular Mass | 233.0089 |
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| SMILES | O=[N+]([O-])c1ccc(COP(=O)(O)O)cc1 |
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| InChI Key | OQKIXVMPYSZBCB-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 compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen 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 compoundphosphoric acid estermonoalkyl phosphatec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundorganic hyponitritenitrobenzene |
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