| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(=O)c1c(O)c(C)cc(C)c1CCC(=O)O |
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| InChI Key | YFIMVAFOFHOXQD-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolspara cresolsphenolsphenylpropanoic acidsvinylogous acidsm-xylenes |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylcarboxylic acid derivativexyleneorganic oxidep-cresolo-cresolacetophenonem-xylenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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