| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:47 UTC |
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| Update Date | 2025-03-25 01:01:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O9S |
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| Molecular Mass | 325.0216 |
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| SMILES | O=c1ncn(C2OC(COS(=O)(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | CTMJSOLIXBMBRB-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 | triazines |
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| Subclass | triazinones |
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| Direct Parent | triazinones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1,3,5-triazinesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compound1,2-diolalcoholcarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivative1,3,5-triazineorganic nitrogen compoundsulfuric acid estertriazinoneorganooxygen compound |
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