| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:14 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | COc1ccc(C(=O)CC(=O)OC(C)=O)cc1 |
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| InChI Key | CICGYFAIMQPMRT-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 | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativescarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethercarboxylic acid derivativebeta-keto acidorganic oxidemethoxybenzenearomatic homomonocyclic compoundanisoleketo acidcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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