| 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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