| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:25 UTC |
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| Update Date | 2025-03-25 00:52:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O4 |
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| Molecular Mass | 242.1518 |
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| SMILES | CC1CCC(C(C)C2CCCO2)OC1C(=O)O |
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| InChI Key | IAIYXBBXJXETJT-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstetrahydrofurans |
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| Substituents | c-glucuronidecarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativestetrahydrofurancarboxylic acid derivativepyran carboxylic aciddialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativespyranaliphatic heteromonocyclic compoundhydrocarbon derivativeoxaneorganoheterocyclic compound |
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