| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:36:16 UTC |
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| Update Date | 2025-03-24 17:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01001222 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C8H10O2 |
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| Molecular Mass | 138.0681 |
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| SMILES | CC1=CC(=O)OC(C)C=C1 |
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| InChI Key | RCTMWHIPAKGYCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enoate esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl grouplactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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