| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:31 UTC |
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| Update Date | 2025-03-25 00:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225559 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | CC(C)C(=O)c1cccc(C(=O)O)c1O |
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| InChI Key | NVYBFLVTMQUXTK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanessalicylic acidsvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylsalicylic acidcarboxylic acid derivativephenylpropaneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativessalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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