| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:49 UTC |
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| Update Date | 2025-03-21 17:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017143 |
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| Frequency | 255.4 |
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| Structure | |
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| Chemical Formula | C7H7NO3S |
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| Molecular Mass | 185.0147 |
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| SMILES | O=C(O)CNC(=O)c1cccs1 |
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| InChI Key | NXTJGIBOVGESBV-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiophene carboxamides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundthiophenethiophene carboxamide2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundheteroaromatic compoundcarboxamide groupthiophene carboxylic acid or derivativesn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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