| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O9P+ |
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| Molecular Mass | 396.1166 |
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| SMILES | C[N+](C)(C)C1C(O)C(O)C(COP(=O)(O)O)OC1n1ccc(=O)[nH]c1=O |
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| InChI Key | YJIMDVLQUJSICR-UHFFFAOYSA-O |
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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 | 1,2-aminoalcohols1,2-diolsaminesaminosaccharidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholstetraalkylammonium saltsvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganic salt1,2-diolalcoholvinylogous amideamino saccharidecarbonic acid derivativetetraalkylammonium saltazacycle1,2-aminoalcoholquaternary ammonium saltheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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