| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | NC(COC(=O)c1cccs1)C(=O)O |
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| InChI Key | SUSGVNOIQZPDHL-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiophene carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundthiophenethiophene carboxylic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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