| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:52 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NOS |
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| Molecular Mass | 169.0561 |
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| SMILES | NCCc1cccc(SO)c1 |
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| InChI Key | SJTMTXATIDHUGU-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 | hydrocarbon derivativesmonoalkylaminesorganic oxygen compoundsorganonitrogen compoundsorganopnictogen compoundsso-thioperoxolssulfenyl compounds |
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| Substituents | monocyclic benzene moietysulfenyl compoundorganosulfur compoundaromatic homomonocyclic compoundthioperoxolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundso-thioperoxol |
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