| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:23 UTC |
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| Update Date | 2025-03-21 18:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027559 |
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| Frequency | 137.5 |
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| Structure | |
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| Chemical Formula | C6H6OS |
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| Molecular Mass | 126.0139 |
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| SMILES | O=CCc1cccs1 |
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| InChI Key | JTGKLBDOZYMAEA-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl grouporganic oxideorganic oxygen compoundaromatic heteromonocyclic compoundalpha-hydrogen aldehydeheteroaromatic compoundaldehydehydrocarbon derivativethiopheneorganooxygen compound |
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