| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:45 UTC |
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| Update Date | 2025-03-21 18:05:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054450 |
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| Frequency | 59.1 |
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| Structure | |
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| Chemical Formula | C18H16O6 |
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| Molecular Mass | 328.0947 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)c2ccc(O)cc2O)ccc1O |
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| InChI Key | MMFAKKRHTQGEGF-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 compoundsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsresorcinolsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesresorcinolcinnamic acid or derivativesorganic oxideenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundalkyl-phenylketone |
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