| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:40 UTC |
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| Update Date | 2025-03-21 18:03:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044979 |
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| Frequency | 75.0 |
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| Structure | |
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| Chemical Formula | C10H15NOS |
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| Molecular Mass | 197.0874 |
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| SMILES | NCCSCC(O)c1ccccc1 |
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| InChI Key | QCGYKVCTARDLQR-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 alcoholsdialkylthioethershydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfenyl compounddialkylthioetherorganosulfur compoundaromatic homomonocyclic compoundorganic oxygen compoundthioetherorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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