| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:09 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O4S |
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| Molecular Mass | 212.0143 |
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| SMILES | COc1ccc2c(c1)C=CS(=O)(=O)O2 |
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| InChI Key | OQTUEYAGKZGCTF-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethershydrocarbon derivativesorganic oxidesorganosulfonic acid estersoxacyclic compoundsoxathiinssulfonic acid esters |
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| Substituents | organosulfonic acid or derivativesetheralkyl aryl ether1,2-oxathiinorganosulfonic acid estersulfonic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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