| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:37 UTC |
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| Update Date | 2025-03-25 00:57:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | C=CC(=O)OCCCc1ccccc1 |
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| InChI Key | PKBZUGSITIBLFK-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate estermonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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