Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:12 UTC |
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Update Date | 2025-03-21 18:35:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105917 |
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Frequency | 25.5 |
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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)CO)ccc1OC(C)=O |
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InChI Key | OKGIXJSEYXUTEV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | benzenoids |
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Class | phenol esters |
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Subclass | phenol esters |
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Direct Parent | phenol esters |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1,2-diolsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound1,2-diol |
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