| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:21 UTC |
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| Update Date | 2025-03-21 18:39:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127881 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C8H14N3O14P3 |
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| Molecular Mass | 468.9689 |
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| SMILES | Nc1ccn(C2OC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | QXJLQYALGOSMMO-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 | 1,3-dioxolanesazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary amines |
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| Substituents | meta-dioxolanearomatic heteromonocyclic compoundpyrimidoneorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalimidolactamcarbonic acid derivativeazacycleheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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