| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:48:50 UTC |
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| Update Date | 2025-03-21 22:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00601530 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | OC1C2OC1C1OCC2O1 |
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| InChI Key | BPHNSIZURMWJCH-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 | 1,3-dioxolanes1,4-dioxanesacetalsdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxanesoxepanesoxetanessecondary alcohols |
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| Substituents | alcoholmeta-dioxolaneether1,4-dioxepanedialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxygen compoundacetalpara-dioxaneoxetanesecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
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