| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:25 UTC |
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| Update Date | 2025-03-21 18:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041924 |
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| Frequency | 81.7 |
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| Structure | |
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| Chemical Formula | C9H10O3 |
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| Molecular Mass | 166.063 |
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| SMILES | COc1ccc(C(=O)O)c(C)c1 |
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| InChI Key | MSVRGYOYISBGTH-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 | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstoluenes |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundtolueneorganooxygen compound |
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