| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:31:24 UTC |
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| Update Date | 2025-03-24 22:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01993902 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H5NO3 |
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| Molecular Mass | 139.0269 |
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| SMILES | CN1C(=O)C=CC(=O)C1=O |
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| InChI Key | PXYDITOJUAXITN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | n-substituted carboxylic acid imides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativescyclic ketonesdicarboximideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupazacyclecyclic ketoneketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundcarboxylic acid imide, n-substitutedorganoheterocyclic compoundorganooxygen compound |
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