| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221876 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16ClN3O5 |
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| Molecular Mass | 353.0778 |
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| SMILES | O=c1ccn(C2OC(CO)C(O)C2O)c(Nc2ccc(Cl)cc2)n1 |
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| InChI Key | WEJJHDIGSSKQTF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyrimidine nucleosides |
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| Subclass | pyrimidine nucleosides |
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| Direct Parent | pyrimidine nucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssecondary aminestetrahydrofuransvinylogous amides |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochloridemonosaccharidepyrimidoneorganohalogen compoundpyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideprimary alcoholorganoheterocyclic compoundaryl chloridechlorobenzenealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundsecondary aminearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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