| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:37 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC1(C)OC2CC(O)C(O2)O1 |
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| InChI Key | OVAWCRQFTUUUGE-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 derivativesketalsoxacyclic compoundssecondary alcoholstetrahydrofuranstrioxanes |
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| Substituents | alcohol1,3-dioxepanetetrahydrofuran1,3,5-trioxanealiphatic heteropolycyclic compoundoxacycleorganic oxygen compoundacetalketalsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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