| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:22 UTC |
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| Update Date | 2025-03-25 00:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O8S |
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| Molecular Mass | 364.0689 |
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| SMILES | CC1(C)OC2C(n3ccc(N)nc3=O)OOC2(COS(N)(=O)=O)O1 |
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| InChI Key | VYGGZFFKZXBFBP-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-dioxolanes1,3-dioxolanesazacyclic compoundsdialkyl peroxidesheteroaromatic compoundshydrocarbon derivativesimidolactamsketalsorganic carbonic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary amines |
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| Substituents | meta-dioxolanepyrimidoneorganic oxideacetalaromatic heteropolycyclic compoundketaldialkyl peroxideorganonitrogen compoundorganopnictogen compoundimidolactamortho-dioxolanecarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundoxacycleorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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