| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163784 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O5 |
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| Molecular Mass | 204.0998 |
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| SMILES | CC1(CO)CCC(C)(CC(=O)O)OO1 |
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| InChI Key | GDRHHRIVTXRAAQ-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 | 1,2-dioxanes |
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| Direct Parent | 1,2-dioxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acidsdialkyl peroxideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddialkyl peroxidealiphatic heteromonocyclic compoundhydrocarbon derivativeortho-dioxaneorganooxygen compound |
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