| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:24 UTC |
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| Update Date | 2025-03-21 18:07:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067903 |
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| Frequency | 44.7 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | Cc1cc2c(o1)CCC(C)(CCC(=O)O)O2 |
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| InChI Key | DBOYLCAJSYRTDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesaromatic heteropolycyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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