| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:16 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120585 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C6H7NO9P2 |
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| Molecular Mass | 298.9596 |
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| SMILES | O=[N+]([O-])c1ccc(OP(=O)(O)OP(=O)(O)O)cc1 |
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| InChI Key | RERUNBYQNMCNRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphosphate esterspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundmonocyclic benzene moietyallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic pyrophosphateorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidephosphoric acid esterc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic oxoazaniumphenoxy compoundorganic phosphoric acid derivativeorganooxygen compoundnitrobenzene |
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