| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O5S |
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| Molecular Mass | 286.0623 |
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| SMILES | C=CCSC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | RAYJSWXIQNCQKB-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-diolsallyl sulfur compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesmonothioacetalsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundallyl sulfur compoundmonosaccharidepyrimidoneorganosulfur compoundmonothioacetalsaccharideorganic oxideorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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