| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:25:44 UTC |
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| Update Date | 2025-03-21 22:18:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00546264 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC1=CC(=O)OC(C)(C)O1 |
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| InChI Key | XFRBXZCBOYNMJP-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 | ketals |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | enoate estercarbonyl groupvinylogous estercarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesketalcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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