| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:09 UTC |
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| Update Date | 2025-03-25 00:52:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O4 |
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| Molecular Mass | 290.1518 |
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| SMILES | CCCCCCC=CC(=O)COC(=O)c1ccccc1O |
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| InChI Key | CPNMXEXVUBSMKH-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsbenzoyl derivativescarboxylic acid estersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessalicylic acid and derivativesvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxideenone1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeacryloyl-grouporganooxygen compound |
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