| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:54 UTC |
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| Update Date | 2025-03-25 01:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O8 |
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| Molecular Mass | 388.1158 |
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| SMILES | CC(CCC(=O)c1c(O)cc(O)cc1O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | ILHYAHQDVFITBR-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoic acid estersbenzoic acidsbenzoyl derivativesbutyrophenonescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativephloroglucinol derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidacylphloroglucinol derivativebenzenetriolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundvinylogous acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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