| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:17 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4S |
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| Molecular Mass | 244.0518 |
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| SMILES | CSC1CC(n2ccc(=O)[nH]c2=O)OC1O |
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| InChI Key | VFLCFDLPBUSBHB-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 | azacyclic compoundsdialkylthioethershemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamsulfenyl compoundaromatic heteromonocyclic compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundpyrimidoneorganosulfur compoundoxacycleorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhemiacetalhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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