| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:29 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NOS |
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| Molecular Mass | 181.0561 |
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| SMILES | ON=C(S)CCc1ccccc1 |
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| InChI Key | DPVSJKSYFJBEKL-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 | alkylthiolshydrocarbon derivativesorganic oxygen compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganosulfur compoundalkylthiol |
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