| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:41 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112025 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C14H12O6S |
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| Molecular Mass | 308.0355 |
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| SMILES | O=S(O)c1cc(O)cc2c1OCC(c1ccc(O)cc1)O2 |
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| InChI Key | YYBXLALOIUQFCV-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 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 benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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