| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO2S |
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| Molecular Mass | 199.0667 |
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| SMILES | COc1cc(C(O)CN)ccc1S |
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| InChI Key | MDJRWBBNDNBKKU-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 | alkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholsthiols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyetherarylthiolalkyl aryl etherorganosulfur compoundmethoxybenzenearomatic homomonocyclic compoundthiophenolorganic oxygen compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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