| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:28 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234358 |
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| Frequency | 0.5 |
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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 | COC(=O)c1cccc(O)c1[N+](=O)[O-] |
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| InChI Key | FHCNMPYMCKHBTK-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsm-hydroxybenzoic acid esters |
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| Substituents | allyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esterc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolm-hydroxybenzoic acid esternitrobenzenenitroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
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