| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:39:49 UTC |
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| Update Date | 2025-03-24 22:18:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01153437 |
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| Frequency | 1.2 |
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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 | CC12CCC(C1)C1OC1O2 |
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| InChI Key | URSJFZCSVHPDNP-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 | epoxideshydrocarbon derivativesorganooxygen compoundsoxacyclic compoundsoxanesoxepanes |
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| Substituents | aliphatic heteropolycyclic compoundoxepaneoxacycle1,3-dioxepaneorganic oxygen compoundoxiranehydrocarbon derivativeoxaneorganooxygen compound |
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