| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO3S |
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| Molecular Mass | 283.1242 |
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| SMILES | CCCN(CCC)S(=O)c1ccc(C(=O)OC)cc1 |
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| InChI Key | ZZUICKRFLCJBSI-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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfinyl compoundsbenzoic acid estersbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfinic acids and derivatives |
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| Substituents | sulfinic acid derivativebenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundaminosulfinyl compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundsulfinyl compoundp-sulfanylbenzoic acid or derivativescarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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