Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:28 UTC |
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Update Date | 2025-03-21 18:34:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099206 |
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Frequency | 27.7 |
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Structure | |
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Chemical Formula | C14H12O7S |
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Molecular Mass | 324.0304 |
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SMILES | O=S(O)c1cc(O)cc2c1OCC(c1ccc(O)c(O)c1)O2 |
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InChI Key | YTLXLFGGUUPHFP-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 | benzodioxanes |
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Subclass | phenylbenzodioxanes |
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Direct Parent | phenylbenzo-1,4-dioxanes |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativesbenzo-1,4-dioxaneshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundspara dioxinssulfinic acids |
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Substituents | 2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanemonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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