Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-11 17:47:36 UTC |
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Update Date | 2022-03-07 02:53:14 UTC |
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HMDB ID | HMDB0032072 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (Z)-Cinnamaldehyde |
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Description | (Z)-Cinnamaldehyde, also known as cis-cinnamic aldehyde, belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal (Z)-Cinnamaldehyde is a cinnamon and spicy tasting compound (Z)-Cinnamaldehyde has been detected, but not quantified in, ceylon cinnamons (Cinnamomum verum). This could make (Z)-cinnamaldehyde a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on (Z)-Cinnamaldehyde. |
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Structure | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
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Synonyms | Value | Source |
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cis-Cinnamaldehyde | ChEBI | cis-Cinnamic aldehyde | ChEBI | (Z)-Cinnamaldehyde | HMDB, ChEBI | (Z)-Cinnamylaldehyde | HMDB | 3-Phenyl-(Z)-2-propenal | HMDB |
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Chemical Formula | C9H8O |
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Average Molecular Weight | 132.1592 |
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Monoisotopic Molecular Weight | 132.057514878 |
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IUPAC Name | (2Z)-3-phenylprop-2-enal |
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Traditional Name | (2Z)-3-phenylprop-2-enal |
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CAS Registry Number | 57194-69-1 |
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SMILES | O=C\C=C/C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
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InChI Key | KJPRLNWUNMBNBZ-DAXSKMNVSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamaldehydes |
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Sub Class | Not Available |
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Direct Parent | Cinnamaldehydes |
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Alternative Parents | |
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Substituents | - Cinnamaldehyde
- Styrene
- Benzenoid
- Monocyclic benzene moiety
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (Z)-Cinnamaldehyde GC-MS (Non-derivatized) - 70eV, Positive | splash10-0f8c-4900000000-9646371bf99f8b256f77 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z)-Cinnamaldehyde GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z)-Cinnamaldehyde GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 10V, Negative-QTOF | splash10-001i-0900000000-074611feed644fd89c07 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 20V, Negative-QTOF | splash10-001i-0900000000-cbf5bec188b738c514af | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 40V, Negative-QTOF | splash10-01p6-9600000000-5eb930cf87b199a5f449 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 10V, Negative-QTOF | splash10-0udi-0900000000-827b27666b5028c8cf77 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 20V, Negative-QTOF | splash10-0udi-0900000000-138b8c24fd394024a31a | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 40V, Negative-QTOF | splash10-004i-9200000000-93f143b30bbb2b4ff778 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 10V, Positive-QTOF | splash10-001i-1900000000-4b1b083c8fdb2a27206b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 20V, Positive-QTOF | splash10-00lr-2900000000-eee6045375789bd7b511 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 40V, Positive-QTOF | splash10-0f6x-9400000000-ffef407879854d06bd7e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 10V, Positive-QTOF | splash10-00lu-2900000000-eda42d3592c23cd1e4bd | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 20V, Positive-QTOF | splash10-0udi-5900000000-5757a78bf103c73ab434 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-Cinnamaldehyde 40V, Positive-QTOF | splash10-0fvi-9300000000-8784eab3c86fc7a1a721 | 2021-09-23 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Not Specified | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB008783 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 4934372 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 6428995 |
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PDB ID | Not Available |
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ChEBI ID | 89729 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1093121 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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