| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:20 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O2 |
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| Molecular Mass | 218.1307 |
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| SMILES | C=CC(=O)CCC(C)(C)c1ccc(O)cc1 |
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| InChI Key | CSQRDUIZVWYNOJ-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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