| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:36 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9ClN3O6P |
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| Molecular Mass | 296.9917 |
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| SMILES | Nc1ccn(C2OC(OP(=O)(O)O)C2Cl)c(=O)n1 |
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| InChI Key | ZDDBSXKTDUKXOA-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary amines |
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| Substituents | aromatic heteromonocyclic compoundalkyl chlorideorganochloridepyrimidoneorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamcarbonic acid derivativeazacycleheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphateoxetanehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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