| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:45 UTC |
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| Update Date | 2025-03-25 00:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | CC(CC(=O)c1cccc(O)c1)C(=O)c1c(O)cc(O)cc1O |
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| InChI Key | UNJNNXHVGZDDBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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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-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenylpropanesvinylogous acids |
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| Substituents | acylphloroglucinol derivativemonocyclic benzene moietyaryl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoidnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidphenylketoneketonebutyrophenonephenylpropanephloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidalkyl-phenylketoneorganooxygen compoundaryl ketone |
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