| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:39 UTC |
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| Update Date | 2025-03-21 18:36:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109499 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C9H12O2S |
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| Molecular Mass | 184.0558 |
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| SMILES | CC(C)COC(=O)c1cccs1 |
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| InChI Key | NOWZYWAODYENMI-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 | carboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativethiophene carboxylic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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