| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:37 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O5 |
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| Molecular Mass | 265.0699 |
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| SMILES | NC(Cc1c[nH]c2cc([N+](=O)[O-])c(O)cc12)C(=O)O |
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| InChI Key | UDDHRKLKSHHRCX-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindoleallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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