| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:58 UTC |
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| Update Date | 2025-03-21 18:38:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122286 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | CCCCC(=O)C(O)=Cc1ccccc1 |
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| InChI Key | OJRUZGUGKCBIIX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesbenzene and substituted derivativesenoneshydrocarbon derivativesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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