| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:58 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N5O6 |
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| Molecular Mass | 323.0866 |
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| SMILES | Nc1ccn(C2OC(n3ccc(=O)[nH]c3=O)OC2CO)c(=O)n1 |
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| InChI Key | DSTCXLQNLBILCE-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminesvinylogous amides |
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| Substituents | alcoholvinylogous amidemeta-dioxolanecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundprimary alcoholimidolactamamineorganooxygen compound |
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