| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:23 UTC |
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| Update Date | 2025-03-25 01:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O3 |
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| Molecular Mass | 218.0943 |
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| SMILES | CC(C)C(=O)C(=Cc1ccccc1)C(=O)O |
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| InChI Key | NRMHVEXPMNYOCT-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-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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