| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:18:36 UTC |
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| Update Date | 2025-03-21 20:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00386864 |
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| Frequency | 4.8 |
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| Structure | |
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| Chemical Formula | C6H4N2O2 |
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| Molecular Mass | 136.0273 |
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| SMILES | O=C1Nc2cc[nH]c2C1=O |
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| InChI Key | RVWPDFOSSXQXRR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketone |
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