| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12OS |
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| Molecular Mass | 216.0609 |
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| SMILES | O=C(CCc1ccccc1)c1cccs1 |
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| InChI Key | SWZHQIGKXCTPMK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsthiophenes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundthiopheneorganic oxidehydrocarbon derivativebenzenoidorganoheterocyclic compound |
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