| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:24:22 UTC |
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| Update Date | 2025-03-24 21:37:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01835167 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | O=C1CNc2cc[nH]c21 |
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| InChI Key | SUELEXDQIQVJPT-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessecondary alkylarylaminesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganoheterocyclic compound |
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