| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:45 UTC |
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| Update Date | 2025-03-25 00:54:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NOS |
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| Molecular Mass | 183.0718 |
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| SMILES | NCC(O)CSc1ccccc1 |
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| InChI Key | YBENHOMEFFYLRO-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthiophenol ethers |
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| Substituents | alcoholmonocyclic benzene moietysulfenyl compoundalkylarylthioetherorganosulfur compoundaryl thioetheraromatic homomonocyclic compoundthiophenolorganic oxygen compoundthioetherthiophenol etherorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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