| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:03 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022149 |
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| Frequency | 179.5 |
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| Structure | |
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| Chemical Formula | C14H12O5 |
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| Molecular Mass | 260.0685 |
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| SMILES | Oc1ccc(C2COc3cc(O)cc(O)c3O2)cc1 |
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| InChI Key | LQZJYKHAZAIFRS-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 derivativesoxacyclic compoundspara dioxins |
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| Substituents | 2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanemonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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