| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:46 UTC |
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| Update Date | 2025-03-21 18:36:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109785 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | COc1ccc(C(=O)CC(=O)C(=O)O)cc1OC |
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| InChI Key | VIKSEMHMAJEIDY-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 ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdimethoxybenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoylalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzenealpha-keto acidmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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