| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:16:26 UTC |
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| Update Date | 2025-03-24 20:41:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01529646 |
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| Frequency | 0.8 |
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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(O)CCCC2OC21 |
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| InChI Key | PSMOWJUFCGDUSM-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 | cyclic alcohols and derivativesdialkyl ethersepoxideshydrocarbon derivativesoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholetheroxiranecyclic alcoholdialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycletertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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