| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:13 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3S |
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| Molecular Mass | 268.0882 |
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| SMILES | CCN(CC)C(=N)S(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | SMJZGPWWIVCGKX-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 | benzoic acidsbenzoyl derivativescarboximidamidescarboxylic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenyl sulfoxidessulfinyl compoundssulfoxides |
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| Substituents | carboxylic acidiminebenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidcarboximidamidep-sulfanylbenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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