| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:05 UTC |
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| Update Date | 2025-03-21 18:39:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127229 |
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| Frequency | 35.8 |
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| Structure | |
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| Chemical Formula | C8H6N2O2 |
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| Molecular Mass | 162.0429 |
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| SMILES | CC1=CC(=O)c2[nH]cnc2C1=O |
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| InChI Key | YVJKSFGWODIVKD-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amideazacycleheteroaromatic compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketoneazole |
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