| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:15 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 | DMID00120545 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5 |
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| Molecular Mass | 211.0481 |
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| SMILES | CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O |
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| InChI Key | OYYFEDUOOFSUGM-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 | 2-phenoxypropionic acids |
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| Direct Parent | 2-phenoxypropionic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrophenyl ethersorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidallyl-type 1,3-dipolar organic compoundalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compound2-phenoxypropionic acidorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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