| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:51 UTC |
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| Update Date | 2025-03-21 18:37:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117252 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C12H22O2 |
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| Molecular Mass | 198.162 |
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| SMILES | CC1(C)CC2CCC(C)(O1)OC2(C)C |
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| InChI Key | BGMWCJPOOSFZGA-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 | 1,3-dioxepanes |
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| Direct Parent | 1,3-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketalsorganooxygen compoundsoxacyclic compoundsoxanesoxepanes |
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| Substituents | 1,3-dioxepanealiphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundacetalketalhydrocarbon derivativeoxaneorganooxygen compound |
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