| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:26 UTC |
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| Update Date | 2025-03-21 18:03:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044409 |
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| Frequency | 76.2 |
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| Structure | |
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| Chemical Formula | C18H16O6 |
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| Molecular Mass | 328.0947 |
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| SMILES | Oc1ccc(C2OC3C(c4ccc5c(c4)OCO5)OCC23)cc1O |
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| InChI Key | LLUGLZHDRKALTI-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-dioxepanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxetanestetrahydrofurans |
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| Substituents | monocyclic benzene moietyethertetrahydrofuran1,4-dioxepane1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddioxepanedialkyl etheroxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundoxetanephenolhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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