| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:44 UTC |
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| Update Date | 2025-03-21 18:41:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135707 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C6H5NO4S |
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| Molecular Mass | 186.9939 |
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| SMILES | Nc1sc(C(=O)O)cc1C(=O)O |
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| InChI Key | NSOPGXXLJYUPOU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiophenes |
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| Subclass | thiophene carboxylic acids and derivatives |
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| Direct Parent | thiophene carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,3,5-trisubstituted thiophenesamino acidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amide2,3,5-trisubstituted thiophenecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidthiophene carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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