| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:49 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 | DMID02210062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19ClN4O3 |
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| Molecular Mass | 350.1146 |
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| SMILES | CC(O)C(O)C1CC(c2ccc(Cl)cc2)c2c([nH]c(N)nc2=O)N1 |
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| InChI Key | XFNAZKZRYWZLBW-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 | 1,2-diolsaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsprimary aminespyridines and derivativespyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietyorganochloridepyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound1,2-diolaryl chloridechlorobenzenealcoholvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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