| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:52:35 UTC |
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| Update Date | 2025-03-21 22:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00467715 |
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| Frequency | 3.7 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CC1(C)OC2CC1CO2 |
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| InChI Key | ITTJHCRQSMUDQB-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 | dioxanes |
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| Subclass | 1,3-dioxanes |
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| Direct Parent | 1,3-dioxanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalshydrocarbon derivativesorganooxygen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | aliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundacetaltetrahydrofuranhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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