| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:49 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | COc1ccc(C(=O)C(C)CO)cc1 |
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| InChI Key | FPTCFTPPPQRPTN-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-hydroxy ketoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylpropanesprimary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonephenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxideanisolehydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholalkyl-phenylketone |
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