| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:56 UTC |
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| Update Date | 2025-03-25 00:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7 |
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| Molecular Mass | 320.0896 |
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| SMILES | Oc1ccc(C2OCC(C(O)c3ccc(O)c(O)c3)O2)cc1O |
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| InChI Key | OJXIHQRCOUVFCD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanes1-hydroxy-4-unsubstituted benzenoidsacetalsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietymeta-dioxolanearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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