| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:35:05 UTC |
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| Update Date | 2025-03-24 21:41:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01860867 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | OC1CCC2OCC1CO2 |
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| InChI Key | INLJEVOXEVMSQF-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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