| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:20 UTC |
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| Update Date | 2025-03-21 18:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036972 |
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| Frequency | 95.4 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | Cc1ccc(C(C)C)c(OCC(=O)O)c1 |
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| InChI Key | MURZAHIYMVFXCF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenol ethersphenoxy compoundsphenylpropanestoluenes |
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| Substituents | monoterpenoidphenol etherphenoxyacetatecarbonyl groupmonocyclic monoterpenoidethercarboxylic acidp-cymenealkyl aryl ethercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcumenehydrocarbon derivativephenoxy compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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