| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:17 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NOS |
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| Molecular Mass | 219.0718 |
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| SMILES | CSc1ccc(NCc2ccco2)cc1 |
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| InChI Key | VWCHXFZXDYADGH-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 heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativesfuransheteroaromatic compoundshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compoundsthiophenol ethers |
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| Substituents | furanmonocyclic benzene moietyaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherthiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundthioetherphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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