| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:17 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC(=O)OCC1COCCO1 |
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| InChI Key | QGQCGVLLMHQWSN-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxanecarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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