| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:24 UTC |
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| Update Date | 2025-03-21 18:33:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096595 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C17H18O6 |
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| Molecular Mass | 318.1103 |
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| SMILES | COc1cc(CCC(=O)c2c(O)cc(O)cc2OC)ccc1O |
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| InChI Key | SAAQHZTYWRHXKS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | 2'-hydroxy-dihydrochalcones |
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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 ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsresorcinolsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyether2'-hydroxy-dihydrochalconearyl alkyl ketonemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolalkyl aryl etherresorcinolketoneorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenephenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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