| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:27 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161198 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O7 |
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| Molecular Mass | 270.0488 |
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| SMILES | NC(Cc1ccc(OC(=O)O)c([N+](=O)[O-])c1)C(=O)O |
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| InChI Key | FUCXZRYFBDPACW-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonic acid monoesterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumamphetamine or derivativesnitrobenzenenitroaromatic compoundcarbonic acid derivativeorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativescarbonic acid monoesterphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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