| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:45:53 UTC |
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| Update Date | 2025-03-25 00:24:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01313213 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H7NOS |
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| Molecular Mass | 141.0248 |
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| SMILES | CSC(=O)c1ccc[nH]1 |
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| InChI Key | AZQXPHRKCLGOTD-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbothioic s-esterscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | thiocarboxylic acid or derivativessulfenyl compoundaromatic heteromonocyclic compoundazacyclethiocarboxylic acid esterheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganooxygen compound |
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