| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:20 UTC |
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| Update Date | 2025-03-21 18:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027438 |
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| Frequency | 138.3 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(C)(C)c1cc(C(=O)O)cc(C(=O)O)c1O |
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| InChI Key | ZKYPMIRRYGQFSY-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanessalicylic acidsvinylogous acids |
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| Substituents | carboxylic acidbenzoylsalicylic acidcarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolmeta_phthalic_acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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