| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:20 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H14O8 |
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| Molecular Mass | 346.0689 |
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| SMILES | O=C(O)C(=O)Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
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| InChI Key | MPYQSVDRSDGINO-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 benzenoidsacylphloroglucinols and derivativesalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acid esterscarboxylic acidscinnamylphenolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundsphenoxyacetic acid derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietyphenoxyacetatecarbonyl group2'-hydroxy-dihydrochalconecarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolcarboxylic acid derivativeketonephloroglucinol derivativeorganic oxideacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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