| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:45 UTC |
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| Update Date | 2025-03-21 18:33:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095007 |
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| Frequency | 29.2 |
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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 | OC1C2COC(C2)C(O)C1O |
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| InChI Key | SDXXXZWGUUOSRW-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 | cyclic alcohols and derivativesdialkyl ethershydrocarbon derivativesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholethertetrahydrofurancyclic alcoholdialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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