| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:05 UTC |
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| Update Date | 2025-03-21 18:04:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052989 |
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| Frequency | 61.2 |
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| Structure | |
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| Chemical Formula | C8H7NO5 |
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| Molecular Mass | 197.0324 |
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| SMILES | COc1ccc([N+](=O)[O-])cc1C(=O)O |
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| InChI Key | CVZUPRDSNNBZLH-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 | nitrobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrophenyl etherso-methoxybenzoic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol etherethercarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideo-methoxybenzoic acid or derivativesc-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundnitrobenzoatephenoxy compoundorganooxygen compoundorganic hyponitrite |
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