| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:20:34 UTC |
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| Update Date | 2025-03-25 00:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02110892 |
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| Frequency | 0.6 |
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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)C1CC2OCC2O1 |
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| InChI Key | UPJSMKDJHPXLQR-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 | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanestetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofuran1,4-dioxepanecarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundoxetanehydrocarbon derivativeorganooxygen compound |
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