| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N2O6 |
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| Molecular Mass | 226.0226 |
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| SMILES | O=C(O)C1=CC(=C[N+](=O)[O-])C=C(C(=O)O)N1 |
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| InChI Key | DORWAUQJTUGXQZ-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdihydropyridineshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumdihydropyridineorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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