| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:39:37 UTC |
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| Update Date | 2025-03-24 22:10:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02013775 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | OC1C2CC(O2)C2OC12 |
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| InChI Key | VMHWLHZUVRQCED-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 | cyclic alcohols and derivativesdialkyl ethersepoxideshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesoxepanesoxetanessecondary alcohols |
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| Substituents | alcoholether1,4-dioxepaneoxiranemonosaccharidecyclic alcoholdialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacyclesaccharideorganic oxygen compoundoxetanesecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
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