| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:56 UTC |
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| Update Date | 2025-03-21 18:32:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090629 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C6H6O2S |
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| Molecular Mass | 142.0088 |
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| SMILES | COC(=O)c1ccsc1 |
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| InChI Key | ZTRAEMILTFNZSM-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativethiophene carboxylic acid or derivativesorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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