| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N2O17P |
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| Molecular Mass | 546.0734 |
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| SMILES | O=C(O)C1(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(OP(=O)(O)O)C(O)C(C(O)CO)O1 |
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| InChI Key | LOFASXKVZWPKRN-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 | 1,3-dioxanesazacyclic compoundscarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundortho estermonosaccharidepyrimidonecarboxylic acid orthoestercarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideorthocarboxylic acid derivativeprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativemeta-dioxanealkyl phosphateorganooxygen compound |
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