| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:02 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O5S |
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| Molecular Mass | 304.1093 |
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| SMILES | CN(C)Cc1ccc(CS(=O)(=O)CCC(N)C(=O)O)o1 |
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| InChI Key | VHUZBMILEDCYRC-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminescarbonyl compoundscarboxylic acidsfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfonesthia fatty acidstrialkylamines |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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