| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:45 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO5S+ |
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| Molecular Mass | 274.0744 |
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| SMILES | CC(=O)c1sc[n+](C2OC(CO)C(O)C2O)c1C |
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| InChI Key | AYXNTUJOXPJNMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compound4,5-disubstituted 1,3-thiazoleoxacyclesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundthiazole |
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