| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:40 UTC |
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| Update Date | 2025-03-21 18:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032920 |
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| Frequency | 110.6 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | COC(=O)C(C)=Cc1ccccc1 |
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| InChI Key | QILOUBBQVGUFNG-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 | benzene and substituted derivativescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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