| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:12 UTC |
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| Update Date | 2025-03-21 18:38:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122837 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C11H8O6 |
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| Molecular Mass | 236.0321 |
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| SMILES | O=C(O)C(=O)CC(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | LMQLZLGCDFOMOK-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-hydroxy ketonecarboxylic acid derivativeorganic oxidealpha-keto acidbenzoic acidbenzoic acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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