| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:38 UTC |
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| Update Date | 2025-03-25 00:55:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214373 |
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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 | CCOC(=O)CC(=O)C=Cc1ccccc1 |
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| InChI Key | KNUYHVRRBLEIHT-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 compoundsbenzene and substituted derivativesbeta-keto acids and derivativescarboxylic acid estersenonesfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundfatty acid estercinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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