| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:13:12 UTC |
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| Update Date | 2025-03-24 20:39:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01521835 |
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| Frequency | 0.8 |
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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 | O=C(O)C12COC(CO1)C2 |
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| InChI Key | OKMXSEGOUBMFJG-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 | dioxanes |
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| Subclass | 1,4-dioxanes |
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| Direct Parent | 1,4-dioxanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofurancarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxanehydrocarbon derivativeorganooxygen compound |
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