| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)CCC(=O)CC(=O)c1cccc(O)c1O |
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| InChI Key | SMJLXPUHAADHKT-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 benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidehydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidalkyl-phenylketonemedium-chain keto acid |
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