| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:32 UTC |
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| Update Date | 2025-03-21 18:40:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130735 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C15H14O8S |
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| Molecular Mass | 354.0409 |
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| SMILES | COc1ccc(C2Oc3cc(S(=O)O)cc(O)c3OC2O)cc1O |
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| InChI Key | GBOOSTHGCJIVFG-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 ethersanisolesbenzo-1,4-dioxaneshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundspara dioxinsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundhemiacetal2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundpara-dioxinanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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