| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:12 UTC |
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| Update Date | 2025-03-21 18:32:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088861 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C9H10O3 |
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| Molecular Mass | 166.063 |
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| SMILES | CC(=O)Oc1ccc(O)c(C)c1 |
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| InChI Key | XJSIOIUWJIMDDN-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-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenoxy compoundstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estero-cresolphenolhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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