| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:21 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048979 |
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| Frequency | 67.5 |
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| Structure | |
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| Chemical Formula | C13H19NO3S |
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| Molecular Mass | 269.1086 |
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| SMILES | CCCN(CCC)S(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | YMNPICYMYNJKDV-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfinyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfinic acids and derivatives |
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| Substituents | carboxylic acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidaromatic homomonocyclic compoundaminosulfinyl compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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