| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:12 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2S |
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| Molecular Mass | 211.0667 |
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| SMILES | CSCCC(=O)c1cc(O)ccc1N |
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| InChI Key | YQXLXUSZVXQMRD-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfenyl compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidesulfenyl compounddialkylthioetheraromatic homomonocyclic compoundthioetherphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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