| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:58 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026586 |
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| Frequency | 143.6 |
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| Structure | |
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| Chemical Formula | C10H10O5 |
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| Molecular Mass | 210.0528 |
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| SMILES | COc1cc(C(=O)CC(=O)O)ccc1O |
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| InChI Key | ZTQKYNMYEBUAFC-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-keto acidorganic oxidemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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