| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:22 UTC |
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| Update Date | 2025-03-21 18:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041805 |
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| Frequency | 82.0 |
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| Structure | |
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| Chemical Formula | C8H8O2S |
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| Molecular Mass | 168.0245 |
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| SMILES | O=S1(=O)CCc2ccccc21 |
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| InChI Key | NKPTVQFJWGCELJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganoheterocyclic compoundssulfones |
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| Substituents | organic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundsulfone |
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