| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185211 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O2S |
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| Molecular Mass | 240.0932 |
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| SMILES | NC(=O)NCCSCC(O)c1ccccc1 |
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| InChI Key | VPGWOWOEIQCQPK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundsdialkylthioethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarbonic acid derivativesulfenyl compounddialkylthioetherorganosulfur compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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