| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:59 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088384 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C15H12O7 |
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| Molecular Mass | 304.0583 |
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| SMILES | O=C(CC(=O)c1c(O)cc(O)cc1O)Oc1ccc(O)cc1 |
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| InChI Key | IYSGTJSSQJXIRL-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 derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol estersphenoxy compoundsvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidphloroglucinol derivativeorganic oxideacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estervinylogous acidmonocarboxylic acid or derivativesketo acidcarboxylic acid esterphenol esterphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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