| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:35 UTC |
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| Update Date | 2025-03-21 18:07:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068322 |
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| Frequency | 44.3 |
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| Structure | |
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| Chemical Formula | C10H13NO2S |
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| Molecular Mass | 211.0667 |
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| SMILES | NCCSCc1ccccc1C(=O)O |
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| InChI Key | YEHIKDNCYOMXMC-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carboxylic acidsulfenyl compounddialkylthioetherbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidorganooxygen compound |
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