| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:07 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249650 |
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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 | Cc1ccc(C(C)C)c(S(=O)(=O)NCC(=O)O)c1 |
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| InChI Key | DECGCJYHXBXTAB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenylpropanestoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-amino acid or derivativesp-cymeneorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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