| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:21 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N4O2 |
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| Molecular Mass | 192.0647 |
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| SMILES | CC(O)C(=O)c1c[nH]c2nncnc12 |
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| InChI Key | RPPCYAWIZTYAKO-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 | 1,2,4-triazinesacyloinsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundorganic oxidearomatic heteropolycyclic compoundacyloinpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganoheterocyclic compound |
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