| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:14:55 UTC |
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| Update Date | 2025-03-24 21:05:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01669855 |
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| Frequency | 0.7 |
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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 | OC1CCC2C=CC(C1)O2 |
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| InChI Key | JYKOSNIUPDKBNI-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 | dialkyl ethersdihydrofuranshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholetherdialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compounddihydrofuran |
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