| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:51 UTC |
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| Update Date | 2025-03-21 18:29:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076187 |
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| Frequency | 38.7 |
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| Structure | |
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| Chemical Formula | C7H6O3S |
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| Molecular Mass | 170.0038 |
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| SMILES | O=S1(=O)OCc2ccccc21 |
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| InChI Key | SDJPPXJZWJEAPT-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 | benzofurans |
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| Subclass | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidsbenzoxathioleshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundsphthalides |
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| Substituents | organosulfonic acid or derivativesbenzofuranonebenzoxathiolephthalideorganosulfonic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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