| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:12 UTC |
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| Update Date | 2025-03-21 18:38:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120443 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C8H6N2O5 |
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| Molecular Mass | 210.0277 |
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| SMILES | O=CNc1ccc([N+](=O)[O-])cc1C(=O)O |
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| InChI Key | INOIVAIURDTXSV-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 | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesnitroaromatic compoundsnitrobenzenesnitrobenzoic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoyln-arylamidecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundvinylogous amideacylaminobenzoic acid or derivativesorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
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