| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O3S |
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| Molecular Mass | 228.0569 |
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| SMILES | NS(=O)(=O)NCCC(=O)c1ccccc1 |
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| InChI Key | PYFWLKXSWOQBSW-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid diamides |
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| Substituents | monocyclic benzene moietyorganic sulfuric acid or derivativesaryl alkyl ketonebenzoylaromatic homomonocyclic compoundsulfuric acid diamideorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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