| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:28 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO4 |
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| Molecular Mass | 193.0375 |
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| SMILES | O=C(O)c1ccccc1C=C[N+](=O)[O-] |
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| InChI Key | QPBQPAMLBIAPEG-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativesc-nitro compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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