| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:51 UTC |
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| Update Date | 2025-03-25 01:01:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | Oc1ccc(C2OCC3CC2CO3)cc1O |
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| InChI Key | ZMXXPEBDBRKDKH-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 | dioxepanes |
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| Subclass | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxanestetrahydrofurans |
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| Substituents | monocyclic benzene moietyethertetrahydrofuran1,4-dioxepane1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddialkyl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidoxaneorganooxygen compound |
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