| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:56 UTC |
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| Update Date | 2025-03-21 18:41:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133914 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | COC(=O)CCC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | DEEYTAOQBKVYAN-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 derivativesbutyrophenonesfatty acid methyl estersgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephloroglucinol derivativeorganic oxidemethyl esteracylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundfatty acid estervinylogous acidmonocarboxylic acid or derivativesfatty acid methyl esterketo acidcarboxylic acid esterphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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