| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5NO6 |
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| Molecular Mass | 199.0117 |
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| SMILES | O=C(O)c1ccc(O)c(O[N+](=O)[O-])c1 |
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| InChI Key | DOEGQMQIBMWLEZ-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrate estersorganic nitratesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganooxygen compoundsphenoxy compounds |
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| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundorganic oxidebenzoic acidorganic nitric acid or derivativesorganic nitratenitrate esterorganic 1,3-dipolar compoundhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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