| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:09 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO4S |
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| Molecular Mass | 325.1348 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)C2 |
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| InChI Key | KERDJXJVRUUPOT-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 | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | tetralinorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaminosulfonyl compoundaromatic homopolycyclic compoundalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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