| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:29 UTC |
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| Update Date | 2025-03-21 18:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030080 |
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| Frequency | 123.7 |
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| Structure | |
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| Chemical Formula | C9H12NO6P |
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| Molecular Mass | 261.0402 |
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| SMILES | CCOP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | YOMNJRBOMBSLAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | aryl dialkyl phosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | dialkyl phosphateshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearyl dialkyl phosphatec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compounddialkyl phosphateorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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