| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:02 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201350 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O6 |
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| Molecular Mass | 330.1103 |
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| SMILES | COc1cc(O)c(C(=O)CC(=O)CCc2ccc(O)cc2)c(O)c1 |
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| InChI Key | JDRJOQQJEQNMIF-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 benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsresorcinolsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherresorcinolorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebutyrophenonearomatic homomonocyclic compoundvinylogous acidanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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