| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:46 UTC |
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| Update Date | 2025-03-21 18:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026116 |
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| Frequency | 146.9 |
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| Structure | |
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| Chemical Formula | C12H19NO6S |
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| Molecular Mass | 305.0933 |
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| SMILES | NC(CCSC1CC(O)C=CC1(O)CC(=O)O)C(=O)O |
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| InChI Key | SRCYMZWQAZYNAI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethertertiary alcoholthia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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