| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:10 UTC |
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| Update Date | 2025-03-21 18:41:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136728 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C7H7NO4S |
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| Molecular Mass | 201.0096 |
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| SMILES | Cc1c(C(=O)O)sc(N)c1C(=O)O |
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| InChI Key | GRMAFXUULIJSLF-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 | 1-carboxy-2-haloaromatic compoundsamino acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidthiophene carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundamineorganooxygen compound |
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