Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:27 UTC |
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Update date | 2019-11-26 03:10:43 UTC |
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Primary ID | FDB014760 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (2Z,6E)-Farnesol |
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Description | (z)-farnesol, also known as 2-cis,6-trans-farnesol or (z,e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (z)-farnesol is considered to be an isoprenoid lipid molecule (z)-farnesol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (z)-farnesol can be found in linden, which makes (z)-farnesol a potential biomarker for the consumption of this food product. |
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CAS Number | 3790-71-4 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C15H26O |
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IUPAC name | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
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InChI Identifier | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11- |
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InChI Key | CRDAMVZIKSXKFV-PVMFERMNSA-N |
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Isomeric SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C/CO |
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Average Molecular Weight | 222.3663 |
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Monoisotopic Molecular Weight | 222.198365454 |
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Classification |
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Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Farsesane sesquiterpenoid
- Sesquiterpenoid
- Fatty alcohol
- Fatty acyl
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | (2Z,6E)-Farnesol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0avr-8930000000-641aa7a0528c963eca89 | Spectrum | Predicted GC-MS | (2Z,6E)-Farnesol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05xr-9860000000-2eeca721058a47519afd | Spectrum | Predicted GC-MS | (2Z,6E)-Farnesol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0ab9-1590000000-88a1356fe7cab3171954 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0avi-7930000000-81c18181dbd66735216a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gi0-9400000000-e44ecbea8a96f84abd43 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0390000000-9beef594142e0da5de92 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-006x-1980000000-3b9708ac6185abaf6d96 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05bf-4910000000-a8db2089f5647c8532ad | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-05gi-5930000000-9f54facb49232e1c6a46 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05o0-9600000000-55d109ed92e3da30c7ea | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00l6-9100000000-bcc664ee21d185da076e | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0690000000-8a43271c10743cad1e3e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00l2-4900000000-7dcaa3b1e66cfbe960c9 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C03220 |
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Pubchem Compound ID | 1549108 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16774 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | JXF41-J:JVP40-S |
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EAFUS ID | Not Available |
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Dr. Duke ID | CIS-TRANS-FARNESOL |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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