| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:29 UTC |
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| Update Date | 2025-03-21 18:36:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111530 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C11H10O7 |
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| Molecular Mass | 254.0427 |
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| SMILES | O=C(O)CC(=O)CC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | KZGJAGVRKYIVSG-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-hydroxy ketonesbeta-keto acids and derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidphloroglucinol derivativeorganic oxidehydroxy fatty acidacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidalkyl-phenylketonemedium-chain keto acid |
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