| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:31 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O6S |
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| Molecular Mass | 347.1151 |
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| SMILES | CS(=O)CCCNCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | XKUOTIDYQSMRPM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxyribonucleosides |
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| Direct Parent | 5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfinyl compoundssulfoxidestetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundpyrimidinesaccharideorganic oxidesulfinyl compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidesecondary aliphatic amine5'-deoxyribonucleosidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundsulfoxidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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