| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H4N2O4S |
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| Molecular Mass | 211.9892 |
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| SMILES | O=C(O)c1scc2c(=O)[nH]c(=O)[nH]c12 |
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| InChI Key | XPDSHKYGGIXXCT-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamcarboxylic acidazacyclethiophene carboxylic acidheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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