| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:28 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181857 |
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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)C(=O)CCCOC(=O)c1ccc(O)cc1 |
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| InChI Key | USUXIHBKQARPBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoyl derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativep-hydroxybenzoic acid alkyl esterketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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