| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:35 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | O=C(OCCCC(=O)c1ccc(O)cc1O)c1ccc(O)cc1 |
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| InChI Key | POCDOCZUSAVCFE-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 derivativesbutyrophenonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsresorcinolsvinylogous acidsp-hydroxybenzoic acid alkyl esters |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonep-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativeresorcinolorganic oxidebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esterbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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