| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:29 UTC |
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| Update Date | 2025-03-25 00:49:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CCCCCC(=O)Oc1cccc(C)c1O |
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| InChI Key | LAWQHKTWDZKUPD-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-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenoxy compoundstoluenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estero-cresolphenolhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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