| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:32 UTC |
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| Update Date | 2025-03-25 00:59:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234543 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20ClN2O12P |
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| Molecular Mass | 474.0442 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)OC3OC(CO)C(O)C3Cl)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | MBVGEXIKFOVCJK-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 nucleotides |
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| Subclass | pyrimidine ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundschlorohydrinsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamchlorohydrinaromatic heteromonocyclic compoundpentose phosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphatepyrimidoneorganohalogen compoundpyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranhalohydrinheteroaromatic compoundoxacycledialkyl phosphatepyrimidine ribonucleoside monophosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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