| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:07 UTC |
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| Update Date | 2025-03-25 00:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O3 |
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| Molecular Mass | 237.1113 |
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| SMILES | CC(C)CC1CC(=O)c2c([nH]c(=O)[nH]c2=O)N1 |
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| InChI Key | FLBKYUZSSZRGMV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyridines and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | lactamaryl alkyl ketonepyrimidonepyrimidineketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminearyl ketone |
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