| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:45 UTC |
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| Update Date | 2025-03-21 18:30:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080830 |
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| Frequency | 35.9 |
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| Structure | |
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| Chemical Formula | C9H12N2O7 |
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| Molecular Mass | 260.0645 |
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| SMILES | O=c1ccn(C2OOC(CO)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | OBABSURMEPPRHO-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 | 1,2-dioxanesazacyclic compoundsdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneoxacycleorganic oxideorganic oxygen compounddialkyl peroxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholortho-dioxaneorganooxygen compound |
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