| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:15 UTC |
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| Update Date | 2025-03-25 00:52:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197155 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CCC(=O)C(Cc1cccc(O)c1)C(=O)OC |
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| InChI Key | FIBCASYGJFQQBQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesfatty acid estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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