| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:02 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217602 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6O5S |
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| Molecular Mass | 213.9936 |
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| SMILES | O=C(O)c1cccc2c1OCS2(=O)=O |
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| InChI Key | WZWGIIBCYUJYAY-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 | benzoxathioles |
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| Subclass | benzoxathioles |
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| Direct Parent | benzoxathioles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzenoidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfones |
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| Substituents | carboxylic acidbenzoxathiolecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganooxygen compoundsulfone |
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