| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:01:47 UTC |
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| Update Date | 2025-03-25 01:16:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02343536 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | CC1(C)C2CC(O2)C2OC21 |
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| InChI Key | CZGFMIOJGIPLDJ-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | dialkyl ethersepoxideshydrocarbon derivativesoxacyclic compoundsoxanesoxepanesoxetanes |
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| Substituents | ether1,4-dioxepaneoxiranedialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeoxaneorganooxygen compound |
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