| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO6 |
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| Molecular Mass | 211.0117 |
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| SMILES | O=C(O)c1cc2c(cc1[N+](=O)[O-])OCO2 |
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| InChI Key | XQJWBDDLVCMLAB-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 heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsbenzenoidsbenzodioxoleshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideacetalaromatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumorganoheterocyclic compoundbenzodioxolenitroaromatic compoundorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
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