| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:56 UTC |
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| Update Date | 2025-03-21 18:37:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117476 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C17H14O5 |
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| Molecular Mass | 298.0841 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)CC(=O)c1ccc(O)cc1O |
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| InChI Key | LXQUSWUUVKUGIL-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativeshydroxycinnamic acidsorganic oxidesresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesresorcinolcinnamic acid or derivativesorganic oxideenone1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidacryloyl-groupalkyl-phenylketone |
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