| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:33 UTC |
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| Update Date | 2025-03-21 17:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023254 |
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| Frequency | 169.3 |
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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(C(=O)O)cc1[N+](=O)[O-] |
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| InChI Key | ANXBDAFDZSXOPQ-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 | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrophenyl ethersorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsp-methoxybenzoic acids and derivativesphenoxy 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 oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundnitrobenzoatephenoxy compoundorganooxygen compoundorganic hyponitrite |
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