| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:31 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O7 |
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| Molecular Mass | 346.1053 |
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| SMILES | COc1ccc(CCC(=O)CC(=O)c2c(O)cc(O)cc2O)cc1O |
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| InChI Key | ZNTNXONJEXOWDH-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 benzenoidsacylphloroglucinols and derivativesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphloroglucinol derivativeorganic oxideacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebutyrophenonearomatic homomonocyclic compoundvinylogous acidanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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