| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:19 UTC |
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| Update Date | 2025-03-25 01:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO4S |
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| Molecular Mass | 271.0878 |
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| SMILES | CCN(C)S(=O)(=O)c1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | FOQYOLKIEFDOBV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupbenzenesulfonamidecarboxylic acidaminosulfonyl compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compound2-phenylpropanoic-acidorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
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