| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:05 UTC |
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| Update Date | 2025-03-21 18:41:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134255 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C12H12O2 |
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| Molecular Mass | 188.0837 |
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| SMILES | CCC(=O)C(C=O)=Cc1ccccc1 |
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| InChI Key | MBKKNKRAMOUJKG-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 ketonesbenzene and substituted derivativesbeta ketoaldehydescinnamaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycinnamaldehydecarbonyl groupbeta-ketoaldehydealdehydealpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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