| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:50 UTC |
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| Update Date | 2025-03-25 00:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O2 |
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| Molecular Mass | 223.1069 |
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| SMILES | CC(O)C1CC(=O)c2c(N)nc(N)nc2N1 |
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| InChI Key | IRRAEBKJNLVCPF-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 derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespyridines and derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | aryl alkyl ketonepyrimidineketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundimidolactamalcoholvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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