| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:20 UTC |
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| Update Date | 2025-03-25 00:49:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O3 |
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| Molecular Mass | 232.1099 |
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| SMILES | CCCCC(C=O)=Cc1ccccc1C(=O)O |
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| InChI Key | DVPYDDXBKNKCQI-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 | cinnamaldehydes |
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| Subclass | cinnamaldehydes |
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| Direct Parent | cinnamaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaldehydesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycinnamaldehydecarbonyl groupcarboxylic acidbenzoylaldehydebenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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