| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:40 UTC |
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| Update Date | 2025-03-21 18:28:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070918 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C10H14N3O9P |
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| Molecular Mass | 351.0468 |
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| SMILES | Nc1ccn(C2OC3C(O)C(O)C(OP(=O)(O)O)C3O2)c(=O)n1 |
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| InChI Key | QKGLHBRPGFFDQF-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1,3-dioxolanesazacyclic compoundscyclic alcohols and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcohols |
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| Substituents | meta-dioxolanepyrimidoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactam1,2-diolalcoholcarbonic acid derivativeazacycleheteroaromatic compoundcyclic alcoholoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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