| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:39 UTC |
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| Update Date | 2025-03-25 00:57:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | C=C(C)C(=O)CC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | YIWXXWPQJPESOD-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 compoundsacylphloroglucinols and derivativesalpha-branched alpha,beta-unsaturated ketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonephloroglucinol derivativeorganic oxideenoneacylphloroglucinol derivativealpha-branched alpha,beta-unsaturated-ketonebenzenetriol1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidacryloyl-groupalkyl-phenylketone |
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