| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:05 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244990 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O7 |
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| Molecular Mass | 286.1053 |
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| SMILES | CCc1ccc(OC2OOC(C(O)O)C(O)C2O)cc1 |
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| InChI Key | NQWPNPBCUQGGJP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,1-diols1,2-diols1,2-dioxanescarbonyl hydratesdialkyl peroxideshydrocarbon derivativesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl hydratearomatic heteromonocyclic compound1,1-dioloxacycleorganic oxygen compounddialkyl peroxidesecondary alcoholhydrocarbon derivativephenoxy compoundortho-dioxaneorganoheterocyclic compoundorganooxygen compound1,2-diol |
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