| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:40 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155069 |
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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 | CC(=O)C(O)=CCCc1ccccc1 |
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| InChI Key | XFYLCHGDMOQXKG-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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