| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | COc1cc(C(=O)CC(O)CO)ccc1O |
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| InChI Key | KKQXBNODRBQPDI-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideprimary alcohol1,2-diolalcoholmethoxybenzenebutyrophenonearomatic homomonocyclic compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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