| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:26 UTC |
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| Update Date | 2025-03-21 18:01:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034777 |
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| Frequency | 103.1 |
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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 | COc1ccc(C(=O)O)cc1C(C)(C)C |
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| InChI Key | WXQUGIVHDANZTM-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 | benzoic acids and derivatives |
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| Direct Parent | p-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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